dimethyl-[3-(7-nitro-2-oxidanylidene-5-phenyl-3H-1,4-benzodiazepin-1-yl)propyl]azanium chloride

Systemtic Name: dimethyl-[3-(7-nitro-2-oxidanylidene-5-phenyl-3H-1,4-benzodiazepin-1-yl)propyl]azanium chloride Openeye Name: dimethyl-[3-(7-nitro-2-oxo-5-phenyl-3H-1,4-benzodiazepin-1-yl)propyl]ammonium chloride CAS Name: dimethyl-[3-(7-nitro-2-oxo-5-phenyl-3H-1,4-benzodiazepin-1-yl)propyl]ammonium chloride IUPAC Name: dimethyl-[3-(7-nitro-2-oxo-5-phenyl-3H-1,4-benzodiazepin-1-yl)propyl]azanium chloride Traditional Name: 3-(2-keto-7-nitro-5-phenyl-3H-1,4-benzodiazepin-1-yl)propyl-dimethyl-ammonium chloride Formula: C20H23ClN4O3 MolecularWeight: 402.87462

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](C)CCCN1C(=O)CN=C(C2=C1C=CC(=C2)[N+](=O)[O-])C3=CC=CC=C3.[Cl-]

Isomeric SMILES

C[NH+](C)CCCN1C(=O)CN=C(C2=C1C=CC(=C2)[N+](=O)[O-])C3=CC=CC=C3.[Cl-]

InChI

InChI=1S/C20H22N4O3.ClH/c1-22(2)11-6-12-23-18-10-9-16(24(26)27)13-17(18)20(21-14-19(23)25)15-7-4-3-5-8-15;/h3-5,7-10,13H,6,11-12,14H2,1-2H3;1H