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Details

Stereochemistry RACEMIC
Molecular Formula C21H38N.Cl
Molecular Weight 339.986
Optical Activity ( + / - )
Defined Stereocenters 0 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of BENZYLDIMETHYL(1-METHYLUNDECYL)AMMONIUM CHLORIDE

SMILES

[Cl-].CCCCCCCCCCC(C)[N+](C)(C)CC1=CC=CC=C1

InChI

InChIKey=MUVSOZNTGHXOGZ-UHFFFAOYSA-M
InChI=1S/C21H38N.ClH/c1-5-6-7-8-9-10-11-13-16-20(2)22(3,4)19-21-17-14-12-15-18-21;/h12,14-15,17-18,20H,5-11,13,16,19H2,1-4H3;1H/q+1;/p-1

HIDE SMILES / InChI

Molecular Formula C21H38N
Molecular Weight 304.5331
Charge 1
Count
Stereochemistry MIXED
Additional Stereochemistry No
Defined Stereocenters 0 / 1
E/Z Centers 0
Optical Activity ( + / - )

Molecular Formula ClH
Molecular Weight 36.461
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 10:37:19 GMT 2023
Edited
by admin
on Sat Dec 16 10:37:19 GMT 2023
Record UNII
1JT4SWJ27X
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
BENZYLDIMETHYL(1-METHYLUNDECYL)AMMONIUM CHLORIDE
Systematic Name English
AMMONIUM, BENZYLDIMETHYL(1-METHYLUNDECYL)-, CHLORIDE
Systematic Name English
BENZENEMETHANAMINIUM, N,N-DIMETHYL-N-(1-METHYLUNDECYL)-, CHLORIDE (1:1)
Systematic Name English
Code System Code Type Description
PUBCHEM
112500432
Created by admin on Sat Dec 16 10:37:19 GMT 2023 , Edited by admin on Sat Dec 16 10:37:19 GMT 2023
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FDA UNII
1JT4SWJ27X
Created by admin on Sat Dec 16 10:37:19 GMT 2023 , Edited by admin on Sat Dec 16 10:37:19 GMT 2023
PRIMARY
CAS
30876-90-5
Created by admin on Sat Dec 16 10:37:19 GMT 2023 , Edited by admin on Sat Dec 16 10:37:19 GMT 2023
PRIMARY