3-(dimethylamino)-1-(1,3-dimethyl-1-oxidanidyl-1,2-benzodiazepin-1-ium-4-yl)propan-1-one

Systemtic Name: 3-(dimethylamino)-1-(1,3-dimethyl-1-oxidanidyl-1,2-benzodiazepin-1-ium-4-yl)propan-1-one Openeye Name: 3-(dimethylamino)-1-(1,3-dimethyl-1-oxido-1,2-benzodiazepin-1-ium-4-yl)propan-1-one CAS Name: 3-(dimethylamino)-1-(1,3-dimethyl-1-oxido-1,2-benzodiazepin-1-ium-4-yl)-1-propanone IUPAC Name: 3-(dimethylamino)-1-(1,3-dimethyl-1-oxido-1,2-benzodiazepin-1-ium-4-yl)propan-1-one Traditional Name: 3-(dimethylamino)-1-(1,3-dimethyl-1-oxido-1,2-benzodiazepin-1-ium-4-yl)propan-1-one Formula: C16H21N3O2 MolecularWeight: 287.35684

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Descriptors Computed from Structure

Canonical SMILES:

CC1=N[N+](C2=CC=CC=C2C=C1C(=O)CCN(C)C)(C)[O-]

Isomeric SMILES

CC1=N[N+](C2=CC=CC=C2C=C1C(=O)CCN(C)C)(C)[O-]

InChI

InChI=1S/C16H21N3O2/c1-12-14(16(20)9-10-18(2)3)11-13-7-5-6-8-15(13)19(4,21)17-12/h5-8,11H,9-10H2,1-4H3