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]ethanoic acid

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]ethanoic acid 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]acetic acid 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]acetic acid 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]acetic acid 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]acetic acid Formula: C30H29N4O6+ MolecularWeight: 541.57446

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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)/p+1