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2-(4,4-dimethyl-3-oxidanylidene-6,7,8,9-tetrahydro-2H-2,3-benzodiazepin-3-ium-5-yl)ethanol

2-(4,4-dimethyl-3-oxidanylidene-6,7,8,9-tetrahydro-2H-2,3-benzodiazepin-3-ium-5-yl)ethanol

Systemtic Name:2-(4,4-dimethyl-3-oxidanylidene-6,7,8,9-tetrahydro-2H-2,3-benzodiazepin-3-ium-5-yl)ethanol
Openeye Name:2-(4,4-dimethyl-3-oxo-6,7,8,9-tetrahydro-2H-2,3-benzodiazepin-3-ium-5-yl)ethanol
CAS Name:2-(4,4-dimethyl-3-oxo-6,7,8,9-tetrahydro-2H-2,3-benzodiazepin-3-ium-5-yl)ethanol
IUPAC Name:2-(4,4-dimethyl-3-oxo-6,7,8,9-tetrahydro-2H-2,3-benzodiazepin-3-ium-5-yl)ethanol
Traditional Name:2-(3-keto-4,4-dimethyl-6,7,8,9-tetrahydro-2H-2,3-benzodiazepin-3-ium-5-yl)ethanol
Formula: C13H21N2O2+
MolecularWeight: 237.31804
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Descriptors Computed from Structure

Canonical SMILES:

CC1(C(=C2CCCCC2=CN[N+]1=O)CCO)C


Isomeric SMILES

CC1(C(=C2CCCCC2=CN[N+]1=O)CCO)C


InChI

InChI=1S/C13H21N2O2/c1-13(2)12(7-8-16)11-6-4-3-5-10(11)9-14-15(13)17/h9,16H,3-8H2,1-2H3,(H,14,17)/q+1


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