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Details

Stereochemistry RACEMIC
Molecular Formula C15H23N2O.Cl
Molecular Weight 282.809
Optical Activity ( + / - )
Defined Stereocenters 0 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of BENZYL(HEXAHYDRO-2-OXO-1H-AZEPIN-3-YL)DIMETHYLAMMONIUM CHLORIDE

SMILES

[Cl-].C[N+](C)(CC1=CC=CC=C1)C2CCCCNC2=O

InChI

InChIKey=FRGHJMDARINEHW-UHFFFAOYSA-N
InChI=1S/C15H22N2O.ClH/c1-17(2,12-13-8-4-3-5-9-13)14-10-6-7-11-16-15(14)18;/h3-5,8-9,14H,6-7,10-12H2,1-2H3;1H

HIDE SMILES / InChI

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

Molecular Formula C15H23N2O
Molecular Weight 247.3559
Charge 1
Count
Stereochemistry MIXED
Additional Stereochemistry No
Defined Stereocenters 0 / 1
E/Z Centers 0
Optical Activity ( + / - )

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 10:32:06 GMT 2023
Edited
by admin
on Sat Dec 16 10:32:06 GMT 2023
Record UNII
3LD136RM6U
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
BENZYL(HEXAHYDRO-2-OXO-1H-AZEPIN-3-YL)DIMETHYLAMMONIUM CHLORIDE
Systematic Name English
1H-AZEPIN-3-AMINIUM, HEXAHYDRO-N,N-DIMETHYL-2-OXO-N-(PHENYLMETHYL)-, CHLORIDE (1:1)
Systematic Name English
Code System Code Type Description
CAS
92207-22-2
Created by admin on Sat Dec 16 10:32:06 GMT 2023 , Edited by admin on Sat Dec 16 10:32:06 GMT 2023
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PUBCHEM
11971092
Created by admin on Sat Dec 16 10:32:06 GMT 2023 , Edited by admin on Sat Dec 16 10:32:06 GMT 2023
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FDA UNII
3LD136RM6U
Created by admin on Sat Dec 16 10:32:06 GMT 2023 , Edited by admin on Sat Dec 16 10:32:06 GMT 2023
PRIMARY
ECHA (EC/EINECS)
296-085-9
Created by admin on Sat Dec 16 10:32:06 GMT 2023 , Edited by admin on Sat Dec 16 10:32:06 GMT 2023
PRIMARY
EPA CompTox
DTXSID20919302
Created by admin on Sat Dec 16 10:32:06 GMT 2023 , Edited by admin on Sat Dec 16 10:32:06 GMT 2023
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