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

Systemtic Name: ethyl 1-ethyl-2-methyl-3-[2-oxidanylidene-2-[(2-propan-2-ylphenyl)amino]ethyl]benzimidazol-1-ium-5-carboxylate Openeye Name: ethyl 1-ethyl-3-[2-(2-isopropylanilino)-2-oxo-ethyl]-2-methyl-benzimidazol-1-ium-5-carboxylate CAS Name: 1-ethyl-2-methyl-3-[2-oxo-2-(2-propan-2-ylanilino)ethyl]-5-benzimidazol-1-iumcarboxylic acid ethyl ester IUPAC Name: ethyl 1-ethyl-2-methyl-3-[2-oxo-2-(2-propan-2-ylanilino)ethyl]benzimidazol-1-ium-5-carboxylate Traditional Name: 1-ethyl-3-[2-(2-isopropylanilino)-2-keto-ethyl]-2-methyl-benzimidazol-1-ium-5-carboxylic acid ethyl ester Formula: C24H30N3O3+ MolecularWeight: 408.5133

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Descriptors Computed from Structure

Canonical SMILES:

CC[N+]1=C(N(C2=C1C=CC(=C2)C(=O)OCC)CC(=O)NC3=CC=CC=C3C(C)C)C

Isomeric SMILES

CC[N+]1=C(N(C2=C1C=CC(=C2)C(=O)OCC)CC(=O)NC3=CC=CC=C3C(C)C)C

InChI

InChI=1S/C24H29N3O3/c1-6-26-17(5)27(22-14-18(12-13-21(22)26)24(29)30-7-2)15-23(28)25-20-11-9-8-10-19(20)16(3)4/h8-14,16H,6-7,15H2,1-5H3/p+1