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

Systemtic Name: ethyl 3-[(4,5-dimethoxy-2-methyl-phenyl)methyl]-1-ethyl-2-methyl-benzimidazol-1-ium-5-carboxylate Openeye Name: ethyl 3-[(4,5-dimethoxy-2-methyl-phenyl)methyl]-1-ethyl-2-methyl-benzimidazol-1-ium-5-carboxylate CAS Name: 3-[(4,5-dimethoxy-2-methylphenyl)methyl]-1-ethyl-2-methyl-5-benzimidazol-1-iumcarboxylic acid ethyl ester IUPAC Name: ethyl 3-[(4,5-dimethoxy-2-methylphenyl)methyl]-1-ethyl-2-methylbenzimidazol-1-ium-5-carboxylate Traditional Name: 3-(4,5-dimethoxy-2-methyl-benzyl)-1-ethyl-2-methyl-benzimidazol-1-ium-5-carboxylic acid ethyl ester Formula: C23H29N2O4+ MolecularWeight: 397.48736

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Descriptors Computed from Structure

Canonical SMILES:

CC[N+]1=C(N(C2=C1C=CC(=C2)C(=O)OCC)CC3=CC(=C(C=C3C)OC)OC)C

Isomeric SMILES

CC[N+]1=C(N(C2=C1C=CC(=C2)C(=O)OCC)CC3=CC(=C(C=C3C)OC)OC)C

InChI

InChI=1S/C23H29N2O4/c1-7-24-16(4)25(14-18-13-22(28-6)21(27-5)11-15(18)3)20-12-17(9-10-19(20)24)23(26)29-8-2/h9-13H,7-8,14H2,1-6H3/q+1