dimethyl 2-methyl-1,3-diphenyl-benzimidazol-3-ium-5,6-dicarboxylate chloride

Systemtic Name: dimethyl 2-methyl-1,3-diphenyl-benzimidazol-3-ium-5,6-dicarboxylate chloride Openeye Name: dimethyl 2-methyl-1,3-diphenyl-benzimidazol-3-ium-5,6-dicarboxylate chloride CAS Name: 2-methyl-1,3-diphenylbenzimidazol-3-ium-5,6-dicarboxylic acid dimethyl ester chloride IUPAC Name: dimethyl 2-methyl-1,3-diphenylbenzimidazol-3-ium-5,6-dicarboxylate chloride Traditional Name: 2-methyl-1,3-diphenyl-benzimidazol-3-ium-5,6-dicarboxylic acid dimethyl ester chloride Formula: C24H21ClN2O4 MolecularWeight: 436.88754

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Descriptors Computed from Structure

Canonical SMILES:

CC1=[N+](C2=C(N1C3=CC=CC=C3)C=C(C(=C2)C(=O)OC)C(=O)OC)C4=CC=CC=C4.[Cl-]

Isomeric SMILES

CC1=[N+](C2=C(N1C3=CC=CC=C3)C=C(C(=C2)C(=O)OC)C(=O)OC)C4=CC=CC=C4.[Cl-]

InChI

InChI=1S/C24H21N2O4.ClH/c1-16-25(17-10-6-4-7-11-17)21-14-19(23(27)29-2)20(24(28)30-3)15-22(21)26(16)18-12-8-5-9-13-18;/h4-15H,1-3H3;1H/q+1;/p-1