(3S)-1-[2-(1-ethanoyl-2,3-dihydroindol-6-yl)-2-oxidanylidene-ethyl]piperidin-1-ium-3-carboxylate

Systemtic Name: (3S)-1-[2-(1-ethanoyl-2,3-dihydroindol-6-yl)-2-oxidanylidene-ethyl]piperidin-1-ium-3-carboxylate Openeye Name: (3S)-1-[2-(1-acetylindolin-6-yl)-2-oxo-ethyl]piperidin-1-ium-3-carboxylate CAS Name: (3S)-1-[2-(1-acetyl-2,3-dihydroindol-6-yl)-2-oxoethyl]-3-piperidin-1-iumcarboxylate IUPAC Name: (3S)-1-[2-(1-acetyl-2,3-dihydroindol-6-yl)-2-oxoethyl]piperidin-1-ium-3-carboxylate Traditional Name: (3S)-1-[2-(1-acetylindolin-6-yl)-2-keto-ethyl]piperidin-1-ium-3-carboxylate Formula: C18H22N2O4 MolecularWeight: 330.37828

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)N1CCC2=C1C=C(C=C2)C(=O)C[NH+]3CCCC(C3)C(=O)[O-]

Isomeric SMILES

CC(=O)N1CCC2=C1C=C(C=C2)C(=O)C[NH+]3CCC[C@@H](C3)C(=O)[O-]

InChI

InChI=1S/C18H22N2O4/c1-12(21)20-8-6-13-4-5-14(9-16(13)20)17(22)11-19-7-2-3-15(10-19)18(23)24/h4-5,9,15H,2-3,6-8,10-11H2,1H3,(H,23,24)/t15-/m0/s1