ethyl 3-[(4-tert-butyl-2,6-dimethyl-phenyl)methyl]-1-ethyl-2-methyl-benzimidazol-1-ium-5-carboxylate

Systemtic Name: ethyl 3-[(4-tert-butyl-2,6-dimethyl-phenyl)methyl]-1-ethyl-2-methyl-benzimidazol-1-ium-5-carboxylate Openeye Name: ethyl 3-[(4-tert-butyl-2,6-dimethyl-phenyl)methyl]-1-ethyl-2-methyl-benzimidazol-1-ium-5-carboxylate CAS Name: 3-[(4-tert-butyl-2,6-dimethylphenyl)methyl]-1-ethyl-2-methyl-5-benzimidazol-1-iumcarboxylic acid ethyl ester IUPAC Name: ethyl 3-[(4-tert-butyl-2,6-dimethylphenyl)methyl]-1-ethyl-2-methylbenzimidazol-1-ium-5-carboxylate Traditional Name: 3-(4-tert-butyl-2,6-dimethyl-benzyl)-1-ethyl-2-methyl-benzimidazol-1-ium-5-carboxylic acid ethyl ester Formula: C26H35N2O2+ MolecularWeight: 407.5683

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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=C(C=C3C)C(C)(C)C)C)C

Isomeric SMILES

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

InChI

InChI=1S/C26H35N2O2/c1-9-27-19(5)28(24-15-20(11-12-23(24)27)25(29)30-10-2)16-22-17(3)13-21(14-18(22)4)26(6,7)8/h11-15H,9-10,16H2,1-8H3/q+1