1-[methyl-(7-nitro-4-oxidanidyl-5-phenyl-3H-1,4-benzodiazepin-4-ium-2-yl)amino]ethanol hydrochloride

Systemtic Name: 1-[methyl-(7-nitro-4-oxidanidyl-5-phenyl-3H-1,4-benzodiazepin-4-ium-2-yl)amino]ethanol hydrochloride Openeye Name: 1-[methyl-(7-nitro-4-oxido-5-phenyl-3H-1,4-benzodiazepin-4-ium-2-yl)amino]ethanol hydrochloride CAS Name: 1-[methyl-(7-nitro-4-oxido-5-phenyl-3H-1,4-benzodiazepin-4-ium-2-yl)amino]ethanol hydrochloride IUPAC Name: 1-[methyl-(7-nitro-4-oxido-5-phenyl-3H-1,4-benzodiazepin-4-ium-2-yl)amino]ethanol hydrochloride Traditional Name: 1-[methyl-(7-nitro-4-oxido-5-phenyl-3H-1,4-benzodiazepin-4-ium-2-yl)amino]ethanol hydrochloride Formula: C18H19ClN4O4 MolecularWeight: 390.82086

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Descriptors Computed from Structure

Canonical SMILES:

CC(N(C)C1=NC2=C(C=C(C=C2)[N+](=O)[O-])C(=[N+](C1)[O-])C3=CC=CC=C3)O.Cl

Isomeric SMILES

CC(N(C)C1=NC2=C(C=C(C=C2)[N+](=O)[O-])C(=[N+](C1)[O-])C3=CC=CC=C3)O.Cl

InChI

InChI=1S/C18H18N4O4.ClH/c1-12(23)20(2)17-11-21(24)18(13-6-4-3-5-7-13)15-10-14(22(25)26)8-9-16(15)19-17;/h3-10,12,23H,11H2,1-2H3;1H