ethyl 1-ethyl-2-methyl-3-[2-oxidanylidene-2-(2,4,5-trimethylphenyl)ethyl]benzimidazol-1-ium-5-carboxylate

Systemtic Name: ethyl 1-ethyl-2-methyl-3-[2-oxidanylidene-2-(2,4,5-trimethylphenyl)ethyl]benzimidazol-1-ium-5-carboxylate Openeye Name: ethyl 1-ethyl-2-methyl-3-[2-oxo-2-(2,4,5-trimethylphenyl)ethyl]benzimidazol-1-ium-5-carboxylate CAS Name: 1-ethyl-2-methyl-3-[2-oxo-2-(2,4,5-trimethylphenyl)ethyl]-5-benzimidazol-1-iumcarboxylic acid ethyl ester IUPAC Name: ethyl 1-ethyl-2-methyl-3-[2-oxo-2-(2,4,5-trimethylphenyl)ethyl]benzimidazol-1-ium-5-carboxylate Traditional Name: 1-ethyl-3-[2-keto-2-(2,4,5-trimethylphenyl)ethyl]-2-methyl-benzimidazol-1-ium-5-carboxylic acid ethyl ester Formula: C24H29N2O3+ MolecularWeight: 393.49866

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Descriptors Computed from Structure

Canonical SMILES:

CC[N+]1=C(N(C2=C1C=CC(=C2)C(=O)OCC)CC(=O)C3=CC(=C(C=C3C)C)C)C

Isomeric SMILES

CC[N+]1=C(N(C2=C1C=CC(=C2)C(=O)OCC)CC(=O)C3=CC(=C(C=C3C)C)C)C

InChI

InChI=1S/C24H29N2O3/c1-7-25-18(6)26(14-23(27)20-12-16(4)15(3)11-17(20)5)22-13-19(9-10-21(22)25)24(28)29-8-2/h9-13H,7-8,14H2,1-6H3/q+1