ethyl 1-ethyl-3-[(2-methoxyphenyl)methyl]-2-methyl-benzimidazol-1-ium-5-carboxylate

Systemtic Name: ethyl 1-ethyl-3-[(2-methoxyphenyl)methyl]-2-methyl-benzimidazol-1-ium-5-carboxylate Openeye Name: ethyl 1-ethyl-3-[(2-methoxyphenyl)methyl]-2-methyl-benzimidazol-1-ium-5-carboxylate CAS Name: 1-ethyl-3-[(2-methoxyphenyl)methyl]-2-methyl-5-benzimidazol-1-iumcarboxylic acid ethyl ester IUPAC Name: ethyl 1-ethyl-3-[(2-methoxyphenyl)methyl]-2-methylbenzimidazol-1-ium-5-carboxylate Traditional Name: 1-ethyl-2-methyl-3-o-anisyl-benzimidazol-1-ium-5-carboxylic acid ethyl ester Formula: C21H25N2O3+ MolecularWeight: 353.4348

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Descriptors Computed from Structure

Canonical SMILES:

CC[N+]1=C(N(C2=C1C=CC(=C2)C(=O)OCC)CC3=CC=CC=C3OC)C

Isomeric SMILES

CC[N+]1=C(N(C2=C1C=CC(=C2)C(=O)OCC)CC3=CC=CC=C3OC)C

InChI

InChI=1S/C21H25N2O3/c1-5-22-15(3)23(14-17-9-7-8-10-20(17)25-4)19-13-16(11-12-18(19)22)21(24)26-6-2/h7-13H,5-6,14H2,1-4H3/q+1