ethyl 3-[2-(3,4-dimethoxyphenyl)-2-oxidanylidene-ethyl]-1-ethyl-2-methyl-benzimidazol-1-ium-5-carboxylate

Systemtic Name: ethyl 3-[2-(3,4-dimethoxyphenyl)-2-oxidanylidene-ethyl]-1-ethyl-2-methyl-benzimidazol-1-ium-5-carboxylate Openeye Name: ethyl 3-[2-(3,4-dimethoxyphenyl)-2-oxo-ethyl]-1-ethyl-2-methyl-benzimidazol-1-ium-5-carboxylate CAS Name: 3-[2-(3,4-dimethoxyphenyl)-2-oxoethyl]-1-ethyl-2-methyl-5-benzimidazol-1-iumcarboxylic acid ethyl ester IUPAC Name: ethyl 3-[2-(3,4-dimethoxyphenyl)-2-oxoethyl]-1-ethyl-2-methylbenzimidazol-1-ium-5-carboxylate Traditional Name: 3-[2-(3,4-dimethoxyphenyl)-2-keto-ethyl]-1-ethyl-2-methyl-benzimidazol-1-ium-5-carboxylic acid ethyl ester Formula: C23H27N2O5+ MolecularWeight: 411.47088

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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=CC(=C(C=C3)OC)OC)C

Isomeric SMILES

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

InChI

InChI=1S/C23H27N2O5/c1-6-24-15(3)25(19-12-17(8-10-18(19)24)23(27)30-7-2)14-20(26)16-9-11-21(28-4)22(13-16)29-5/h8-13H,6-7,14H2,1-5H3/q+1