ethyl 1-ethyl-3-(2-methoxyethyl)-2-methyl-benzimidazol-1-ium-5-carboxylate

Systemtic Name: ethyl 1-ethyl-3-(2-methoxyethyl)-2-methyl-benzimidazol-1-ium-5-carboxylate Openeye Name: ethyl 1-ethyl-3-(2-methoxyethyl)-2-methyl-benzimidazol-1-ium-5-carboxylate CAS Name: 1-ethyl-3-(2-methoxyethyl)-2-methyl-5-benzimidazol-1-iumcarboxylic acid ethyl ester IUPAC Name: ethyl 1-ethyl-3-(2-methoxyethyl)-2-methylbenzimidazol-1-ium-5-carboxylate Traditional Name: 1-ethyl-3-(2-methoxyethyl)-2-methyl-benzimidazol-1-ium-5-carboxylic acid ethyl ester Formula: C16H23N2O3+ MolecularWeight: 291.36542

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H23N2O3/c1-5-17-12(3)18(9-10-20-4)15-11-13(7-8-14(15)17)16(19)21-6-2/h7-8,11H,5-6,9-10H2,1-4H3/q+1