2-[2-aminocarbonyl-1-[5-(2,6-dimethoxy-4-methyl-phenyl)-1-methyl-2-oxidanylidene-3H-1,4-benzodiazepin-3-yl]indol-1-ium-1-yl]ethanoate

Systemtic Name: 2-[2-aminocarbonyl-1-[5-(2,6-dimethoxy-4-methyl-phenyl)-1-methyl-2-oxidanylidene-3H-1,4-benzodiazepin-3-yl]indol-1-ium-1-yl]ethanoate Openeye Name: 2-[2-carbamoyl-1-[5-(2,6-dimethoxy-4-methyl-phenyl)-1-methyl-2-oxo-3H-1,4-benzodiazepin-3-yl]indol-1-ium-1-yl]acetate CAS Name: 2-[2-carbamoyl-1-[5-(2,6-dimethoxy-4-methylphenyl)-1-methyl-2-oxo-3H-1,4-benzodiazepin-3-yl]-1-indol-1-iumyl]acetate IUPAC Name: 2-[2-carbamoyl-1-[5-(2,6-dimethoxy-4-methylphenyl)-1-methyl-2-oxo-3H-1,4-benzodiazepin-3-yl]indol-1-ium-1-yl]acetate Traditional Name: 2-[2-carbamoyl-1-[5-(2,6-dimethoxy-4-methyl-phenyl)-2-keto-1-methyl-3H-1,4-benzodiazepin-3-yl]indol-1-ium-1-yl]acetate Formula: C30H28N4O6 MolecularWeight: 540.56652

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1)OC)C2=NC(C(=O)N(C3=CC=CC=C32)C)[N+]4(C5=CC=CC=C5C=C4C(=O)N)CC(=O)[O-])OC

Isomeric SMILES

CC1=CC(=C(C(=C1)OC)C2=NC(C(=O)N(C3=CC=CC=C32)C)[N+]4(C5=CC=CC=C5C=C4C(=O)N)CC(=O)[O-])OC

InChI

InChI=1S/C30H28N4O6/c1-17-13-23(39-3)26(24(14-17)40-4)27-19-10-6-7-11-20(19)33(2)30(38)29(32-27)34(16-25(35)36)21-12-8-5-9-18(21)15-22(34)28(31)37/h5-15,29H,16H2,1-4H3,(H2-,31,35,36,37)