(3S)-1-[2-(2,3-dihydroindol-1-yl)-2-oxidanylidene-ethyl]piperidin-1-ium-3-carboxylate

Systemtic Name: (3S)-1-[2-(2,3-dihydroindol-1-yl)-2-oxidanylidene-ethyl]piperidin-1-ium-3-carboxylate Openeye Name: (3S)-1-(2-indolin-1-yl-2-oxo-ethyl)piperidin-1-ium-3-carboxylate CAS Name: (3S)-1-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-3-piperidin-1-iumcarboxylate IUPAC Name: (3S)-1-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]piperidin-1-ium-3-carboxylate Traditional Name: (3S)-1-(2-indolin-1-yl-2-keto-ethyl)piperidin-1-ium-3-carboxylate Formula: C16H20N2O3 MolecularWeight: 288.3416

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(C[NH+](C1)CC(=O)N2CCC3=CC=CC=C32)C(=O)[O-]

Isomeric SMILES

C1C[C@@H](C[NH+](C1)CC(=O)N2CCC3=CC=CC=C32)C(=O)[O-]

InChI

InChI=1S/C16H20N2O3/c19-15(11-17-8-3-5-13(10-17)16(20)21)18-9-7-12-4-1-2-6-14(12)18/h1-2,4,6,13H,3,5,7-11H2,(H,20,21)/t13-/m0/s1