3-(7-bromanyl-2-oxidanylidene-5-pyridin-2-yl-3,4-dihydro-1,4-benzodiazepin-1-ium-1-yl)propyl-dimethyl-azanium dichloride

Systemtic Name: 3-(7-bromanyl-2-oxidanylidene-5-pyridin-2-yl-3,4-dihydro-1,4-benzodiazepin-1-ium-1-yl)propyl-dimethyl-azanium dichloride Openeye Name: 3-[7-bromo-2-oxo-5-(2-pyridyl)-3,4-dihydro-1,4-benzodiazepin-1-ium-1-yl]propyl-dimethyl-ammonium dichloride CAS Name: 3-[7-bromo-2-oxo-5-(2-pyridinyl)-3,4-dihydro-1,4-benzodiazepin-1-ium-1-yl]propyl-dimethylammonium dichloride IUPAC Name: 3-(7-bromo-2-oxo-5-pyridin-2-yl-3,4-dihydro-1,4-benzodiazepin-1-ium-1-yl)propyl-dimethylazanium dichloride Traditional Name: 3-[7-bromo-2-keto-5-(2-pyridyl)-3,4-dihydro-1,4-benzodiazepin-1-ium-1-yl]propyl-dimethyl-ammonium dichloride Formula: C19H23BrCl2N4O MolecularWeight: 474.22212

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](C)CCC[N+]1=C2C=CC(=CC2=C(NCC1=O)C3=CC=CC=N3)Br.[Cl-].[Cl-]

Isomeric SMILES

C[NH+](C)CCC[N+]1=C2C=CC(=CC2=C(NCC1=O)C3=CC=CC=N3)Br.[Cl-].[Cl-]

InChI

InChI=1S/C19H21BrN4O.2ClH/c1-23(2)10-5-11-24-17-8-7-14(20)12-15(17)19(22-13-18(24)25)16-6-3-4-9-21-16;;/h3-4,6-9,12H,5,10-11,13H2,1-2H3;2*1H