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

Systemtic Name: ethyl 1-ethyl-2-methyl-3-[(2-methylphenyl)methyl]benzimidazol-1-ium-5-carboxylate Openeye Name: ethyl 1-ethyl-2-methyl-3-(o-tolylmethyl)benzimidazol-1-ium-5-carboxylate CAS Name: 1-ethyl-2-methyl-3-[(2-methylphenyl)methyl]-5-benzimidazol-1-iumcarboxylic acid ethyl ester IUPAC Name: ethyl 1-ethyl-2-methyl-3-[(2-methylphenyl)methyl]benzimidazol-1-ium-5-carboxylate Traditional Name: 1-ethyl-2-methyl-3-(2-methylbenzyl)benzimidazol-1-ium-5-carboxylic acid ethyl ester Formula: C21H25N2O2+ MolecularWeight: 337.4354

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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=C3C)C

Isomeric SMILES

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

InChI

InChI=1S/C21H25N2O2/c1-5-22-16(4)23(14-18-10-8-7-9-15(18)3)20-13-17(11-12-19(20)22)21(24)25-6-2/h7-13H,5-6,14H2,1-4H3/q+1