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

Systemtic Name: ethyl 3-[2-(2,3-dihydroindol-1-yl)-2-oxidanylidene-ethyl]-1-ethyl-2-methyl-benzimidazol-1-ium-5-carboxylate Openeye Name: ethyl 1-ethyl-3-(2-indolin-1-yl-2-oxo-ethyl)-2-methyl-benzimidazol-1-ium-5-carboxylate CAS Name: 3-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-1-ethyl-2-methyl-5-benzimidazol-1-iumcarboxylic acid ethyl ester IUPAC Name: ethyl 3-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-1-ethyl-2-methylbenzimidazol-1-ium-5-carboxylate Traditional Name: 1-ethyl-3-(2-indolin-1-yl-2-keto-ethyl)-2-methyl-benzimidazol-1-ium-5-carboxylic acid ethyl ester Formula: C23H26N3O3+ MolecularWeight: 392.47084

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Descriptors Computed from Structure

Canonical SMILES:

CC[N+]1=C(N(C2=C1C=CC(=C2)C(=O)OCC)CC(=O)N3CCC4=CC=CC=C43)C

Isomeric SMILES

CC[N+]1=C(N(C2=C1C=CC(=C2)C(=O)OCC)CC(=O)N3CCC4=CC=CC=C43)C

InChI

InChI=1S/C23H26N3O3/c1-4-24-16(3)26(21-14-18(10-11-20(21)24)23(28)29-5-2)15-22(27)25-13-12-17-8-6-7-9-19(17)25/h6-11,14H,4-5,12-13,15H2,1-3H3/q+1