ethyl 3-[(5-ethanoyl-2-ethoxy-phenyl)methyl]-1-ethyl-2-methyl-benzimidazol-1-ium-5-carboxylate

Systemtic Name: ethyl 3-[(5-ethanoyl-2-ethoxy-phenyl)methyl]-1-ethyl-2-methyl-benzimidazol-1-ium-5-carboxylate Openeye Name: ethyl 3-[(5-acetyl-2-ethoxy-phenyl)methyl]-1-ethyl-2-methyl-benzimidazol-1-ium-5-carboxylate CAS Name: 3-[(5-acetyl-2-ethoxyphenyl)methyl]-1-ethyl-2-methyl-5-benzimidazol-1-iumcarboxylic acid ethyl ester IUPAC Name: ethyl 3-[(5-acetyl-2-ethoxyphenyl)methyl]-1-ethyl-2-methylbenzimidazol-1-ium-5-carboxylate Traditional Name: 3-(5-acetyl-2-ethoxy-benzyl)-1-ethyl-2-methyl-benzimidazol-1-ium-5-carboxylic acid ethyl ester Formula: C24H29N2O4+ MolecularWeight: 409.49806

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Descriptors Computed from Structure

Canonical SMILES:

CC[N+]1=C(N(C2=C1C=CC(=C2)C(=O)OCC)CC3=C(C=CC(=C3)C(=O)C)OCC)C

Isomeric SMILES

CC[N+]1=C(N(C2=C1C=CC(=C2)C(=O)OCC)CC3=C(C=CC(=C3)C(=O)C)OCC)C

InChI

InChI=1S/C24H29N2O4/c1-6-25-17(5)26(22-14-19(9-11-21(22)25)24(28)30-8-3)15-20-13-18(16(4)27)10-12-23(20)29-7-2/h9-14H,6-8,15H2,1-5H3/q+1