ethyl 1-ethyl-2-methyl-3-[2-(2-methyl-1H-indol-3-yl)-2-oxidanylidene-ethyl]benzimidazol-1-ium-5-carboxylate

Systemtic Name: ethyl 1-ethyl-2-methyl-3-[2-(2-methyl-1H-indol-3-yl)-2-oxidanylidene-ethyl]benzimidazol-1-ium-5-carboxylate Openeye Name: ethyl 1-ethyl-2-methyl-3-[2-(2-methyl-1H-indol-3-yl)-2-oxo-ethyl]benzimidazol-1-ium-5-carboxylate CAS Name: 1-ethyl-2-methyl-3-[2-(2-methyl-1H-indol-3-yl)-2-oxoethyl]-5-benzimidazol-1-iumcarboxylic acid ethyl ester IUPAC Name: ethyl 1-ethyl-2-methyl-3-[2-(2-methyl-1H-indol-3-yl)-2-oxoethyl]benzimidazol-1-ium-5-carboxylate Traditional Name: 1-ethyl-3-[2-keto-2-(2-methyl-1H-indol-3-yl)ethyl]-2-methyl-benzimidazol-1-ium-5-carboxylic acid ethyl ester Formula: C24H26N3O3+ MolecularWeight: 404.48154

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Descriptors Computed from Structure

Canonical SMILES:

CC[N+]1=C(N(C2=C1C=CC(=C2)C(=O)OCC)CC(=O)C3=C(NC4=CC=CC=C43)C)C

Isomeric SMILES

CC[N+]1=C(N(C2=C1C=CC(=C2)C(=O)OCC)CC(=O)C3=C(NC4=CC=CC=C43)C)C

InChI

InChI=1S/C24H25N3O3/c1-5-26-16(4)27(21-13-17(11-12-20(21)26)24(29)30-6-2)14-22(28)23-15(3)25-19-10-8-7-9-18(19)23/h7-13H,5-6,14H2,1-4H3/p+1