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

Systemtic Name: ethyl 1-ethyl-2-methyl-3-[(2R)-1-[(2R)-2-methyl-2,3-dihydroindol-1-yl]-1-oxidanylidene-propan-2-yl]benzimidazol-1-ium-5-carboxylate Openeye Name: ethyl 1-ethyl-2-methyl-3-[(1R)-1-methyl-2-[(2R)-2-methylindolin-1-yl]-2-oxo-ethyl]benzimidazol-1-ium-5-carboxylate CAS Name: 1-ethyl-2-methyl-3-[(2R)-1-[(2R)-2-methyl-2,3-dihydroindol-1-yl]-1-oxopropan-2-yl]-5-benzimidazol-1-iumcarboxylic acid ethyl ester IUPAC Name: ethyl 1-ethyl-2-methyl-3-[(2R)-1-[(2R)-2-methyl-2,3-dihydroindol-1-yl]-1-oxopropan-2-yl]benzimidazol-1-ium-5-carboxylate Traditional Name: 1-ethyl-3-[(1R)-2-keto-1-methyl-2-[(2R)-2-methylindolin-1-yl]ethyl]-2-methyl-benzimidazol-1-ium-5-carboxylic acid ethyl ester Formula: C25H30N3O3+ MolecularWeight: 420.524

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Descriptors Computed from Structure

Canonical SMILES:

CC[N+]1=C(N(C2=C1C=CC(=C2)C(=O)OCC)C(C)C(=O)N3C(CC4=CC=CC=C43)C)C

Isomeric SMILES

CC[N+]1=C(N(C2=C1C=CC(=C2)C(=O)OCC)[C@H](C)C(=O)N3[C@@H](CC4=CC=CC=C43)C)C

InChI

InChI=1S/C25H30N3O3/c1-6-26-18(5)28(23-15-20(12-13-22(23)26)25(30)31-7-2)17(4)24(29)27-16(3)14-19-10-8-9-11-21(19)27/h8-13,15-17H,6-7,14H2,1-5H3/q+1/t16-,17-/m1/s1