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Details

Stereochemistry RACEMIC
Molecular Formula C9H19N2O.CH3O4S
Molecular Weight 282.357
Optical Activity ( + / - )
Defined Stereocenters 0 / 2
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of HEXAHYDRO-N,N,N-TRIMETHYL-2-OXO-1H-AZEPIN-3-AMINIUM METHYL SULFATE

SMILES

COS([O-])(=O)=O.C[N+](C)(C)C1CCCCNC1=O

InChI

InChIKey=WJIDYVMMSTVWOF-UHFFFAOYSA-N
InChI=1S/C9H18N2O.CH4O4S/c1-11(2,3)8-6-4-5-7-10-9(8)12;1-5-6(2,3)4/h8H,4-7H2,1-3H3;1H3,(H,2,3,4)

HIDE SMILES / InChI

Approval Year

Unknown
149124
Name Type Language
HEXAHYDRO-N,N,N-TRIMETHYL-2-OXO-1H-AZEPIN-3-AMINIUM METHYL SULFATE
Systematic Name English
(HEXAHYDRO-2-OXO-1H-AZEPIN-3-YL)TRIMETHYLAMMONIUM METHYL SULPHATE
Preferred Name English
1H-AZEPIN-3-AMINIUM, HEXAHYDRO-N,N,N-TRIMETHYL-2-OXO-, METHYL SULFATE
Systematic Name English
1H-AZEPIN-3-AMINIUM, HEXAHYDRO-N,N,N-TRIMETHYL-2-OXO-, METHYL SULFATE (1:1)
Systematic Name English
Code System Code Type Description
CAS
92207-21-1
Created by admin on Wed Apr 02 11:35:11 GMT 2025 , Edited by admin on Wed Apr 02 11:35:11 GMT 2025
PRIMARY
ECHA (EC/EINECS)
296-084-3
Created by admin on Wed Apr 02 11:35:11 GMT 2025 , Edited by admin on Wed Apr 02 11:35:11 GMT 2025
PRIMARY
FDA UNII
570Q65WYBI
Created by admin on Wed Apr 02 11:35:11 GMT 2025 , Edited by admin on Wed Apr 02 11:35:11 GMT 2025
PRIMARY
EPA CompTox
DTXSID80919303
Created by admin on Wed Apr 02 11:35:11 GMT 2025 , Edited by admin on Wed Apr 02 11:35:11 GMT 2025
PRIMARY
PUBCHEM
11971090
Created by admin on Wed Apr 02 11:35:11 GMT 2025 , Edited by admin on Wed Apr 02 11:35:11 GMT 2025
PRIMARY
NIH
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