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

Systemtic Name: ethyl 1-ethyl-2-methyl-3-[(4-propan-2-ylphenyl)methyl]benzimidazol-1-ium-5-carboxylate Openeye Name: ethyl 1-ethyl-3-[(4-isopropylphenyl)methyl]-2-methyl-benzimidazol-1-ium-5-carboxylate CAS Name: 1-ethyl-2-methyl-3-[(4-propan-2-ylphenyl)methyl]-5-benzimidazol-1-iumcarboxylic acid ethyl ester IUPAC Name: ethyl 1-ethyl-2-methyl-3-[(4-propan-2-ylphenyl)methyl]benzimidazol-1-ium-5-carboxylate Traditional Name: 1-ethyl-3-(4-isopropylbenzyl)-2-methyl-benzimidazol-1-ium-5-carboxylic acid ethyl ester Formula: C23H29N2O2+ MolecularWeight: 365.48856

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Descriptors Computed from Structure

Canonical SMILES:

CC[N+]1=C(N(C2=C1C=CC(=C2)C(=O)OCC)CC3=CC=C(C=C3)C(C)C)C

Isomeric SMILES

CC[N+]1=C(N(C2=C1C=CC(=C2)C(=O)OCC)CC3=CC=C(C=C3)C(C)C)C

InChI

InChI=1S/C23H29N2O2/c1-6-24-17(5)25(15-18-8-10-19(11-9-18)16(3)4)22-14-20(12-13-21(22)24)23(26)27-7-2/h8-14,16H,6-7,15H2,1-5H3/q+1