ethyl 1-ethyl-2-methyl-3-[2-(4-methylphenoxy)ethyl]benzimidazol-1-ium-5-carboxylate

Systemtic Name: ethyl 1-ethyl-2-methyl-3-[2-(4-methylphenoxy)ethyl]benzimidazol-1-ium-5-carboxylate Openeye Name: ethyl 1-ethyl-2-methyl-3-[2-(4-methylphenoxy)ethyl]benzimidazol-1-ium-5-carboxylate CAS Name: 1-ethyl-2-methyl-3-[2-(4-methylphenoxy)ethyl]-5-benzimidazol-1-iumcarboxylic acid ethyl ester IUPAC Name: ethyl 1-ethyl-2-methyl-3-[2-(4-methylphenoxy)ethyl]benzimidazol-1-ium-5-carboxylate Traditional Name: 1-ethyl-2-methyl-3-[2-(4-methylphenoxy)ethyl]benzimidazol-1-ium-5-carboxylic acid ethyl ester Formula: C22H27N2O3+ MolecularWeight: 367.46138

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Descriptors Computed from Structure

Canonical SMILES:

CC[N+]1=C(N(C2=C1C=CC(=C2)C(=O)OCC)CCOC3=CC=C(C=C3)C)C

Isomeric SMILES

CC[N+]1=C(N(C2=C1C=CC(=C2)C(=O)OCC)CCOC3=CC=C(C=C3)C)C

InChI

InChI=1S/C22H27N2O3/c1-5-23-17(4)24(13-14-27-19-10-7-16(3)8-11-19)21-15-18(9-12-20(21)23)22(25)26-6-2/h7-12,15H,5-6,13-14H2,1-4H3/q+1