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Details

Stereochemistry ACHIRAL
Molecular Formula C12H20NO.C7H7O3S
Molecular Weight 365.4888
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of EMILIUM TOSYLATE

SMILES

CC[N+](C)(C)Cc1cccc(c1)OC.Cc1ccc(cc1)S(=O)(=O)[O-]

InChI

InChIKey=IOCHDYUJEBGIKB-UHFFFAOYSA-M
InChI=1S/C12H20NO.C7H8O3S/c1-5-13(2,3)10-11-7-6-8-12(9-11)14-4;1-6-2-4-7(5-3-6)11(8,9)10/h6-9H,5,10H2,1-4H3;2-5H,1H3,(H,8,9,10)/q+1;/p-1

HIDE SMILES / InChI

Molecular Formula C7H7O3S
Molecular Weight 171.195
Charge -1
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Molecular Formula C12H20NO
Molecular Weight 194.2938
Charge 1
Count
Stereochemistry RACEMIC
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Patents

Patents

Substance Class Chemical
Created
by admin
on Sat Jun 26 11:02:19 UTC 2021
Edited
by admin
on Sat Jun 26 11:02:19 UTC 2021
Record UNII
CIQ9QG91PY
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
EMILIUM TOSYLATE
USAN  
USAN  
Official Name English
EMILIUM TOSILATE [INN]
Common Name English
BENZENEMETHANAMINIUM, N-ETHYL-3-METHOXY-N,N-DIMETHYL-, SALT WITH 4-METHYLBENZENESULFONIC ACID (1:1)
Common Name English
ETHYL(M-METHOXYBENZYL)DIMETHYLAMMONIUM P-TOLUENESULFONATE
Common Name English
ETHYL(M-METHOXYBENZYL)DIMETHYLAMMONIUM P-TOLUENESULPHONATE
Common Name English
EMILIUM TOSYLATE [USAN]
Common Name English
EMILIUM TOSILATE
INN  
INN  
Official Name English
Classification Tree Code System Code
NCI_THESAURUS C47793
Created by admin on Sat Jun 26 11:02:19 UTC 2021 , Edited by admin on Sat Jun 26 11:02:19 UTC 2021
Code System Code Type Description
FDA UNII
CIQ9QG91PY
Created by admin on Sat Jun 26 11:02:19 UTC 2021 , Edited by admin on Sat Jun 26 11:02:19 UTC 2021
PRIMARY
CAS
30716-01-9
Created by admin on Sat Jun 26 11:02:19 UTC 2021 , Edited by admin on Sat Jun 26 11:02:19 UTC 2021
PRIMARY
NCI_THESAURUS
C87600
Created by admin on Sat Jun 26 11:02:19 UTC 2021 , Edited by admin on Sat Jun 26 11:02:19 UTC 2021
PRIMARY
INN
4149
Created by admin on Sat Jun 26 11:02:19 UTC 2021 , Edited by admin on Sat Jun 26 11:02:19 UTC 2021
PRIMARY
ChEMBL
CHEMBL2110817
Created by admin on Sat Jun 26 11:02:19 UTC 2021 , Edited by admin on Sat Jun 26 11:02:19 UTC 2021
PRIMARY
EVMPD
SUB06507MIG
Created by admin on Sat Jun 26 11:02:19 UTC 2021 , Edited by admin on Sat Jun 26 11:02:19 UTC 2021
PRIMARY
PUBCHEM
9976106
Created by admin on Sat Jun 26 11:02:19 UTC 2021 , Edited by admin on Sat Jun 26 11:02:19 UTC 2021
PRIMARY
Related Record Type Details
PARENT -> SALT/SOLVATE
Related Record Type Details
ACTIVE MOIETY