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

Systemtic Name: methyl 1-[2-(2,3-dihydroindol-1-yl)-2-oxidanylidene-ethyl]pyridin-1-ium-3-carboxylate Openeye Name: methyl 1-(2-indolin-1-yl-2-oxo-ethyl)pyridin-1-ium-3-carboxylate CAS Name: 1-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-3-pyridin-1-iumcarboxylic acid methyl ester IUPAC Name: methyl 1-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]pyridin-1-ium-3-carboxylate Traditional Name: 1-(2-indolin-1-yl-2-keto-ethyl)pyridin-1-ium-3-carboxylic acid methyl ester Formula: C17H17N2O3+ MolecularWeight: 297.32848

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C[N+](=CC=C1)CC(=O)N2CCC3=CC=CC=C32

Isomeric SMILES

COC(=O)C1=C[N+](=CC=C1)CC(=O)N2CCC3=CC=CC=C32

InChI

InChI=1S/C17H17N2O3/c1-22-17(21)14-6-4-9-18(11-14)12-16(20)19-10-8-13-5-2-3-7-15(13)19/h2-7,9,11H,8,10,12H2,1H3/q+1