1-[(2S)-1-(1-ethanoyl-2,3-dihydroindol-6-yl)-1-oxidanylidene-propan-2-yl]piperidin-1-ium-4-carboxylate

Systemtic Name: 1-[(2S)-1-(1-ethanoyl-2,3-dihydroindol-6-yl)-1-oxidanylidene-propan-2-yl]piperidin-1-ium-4-carboxylate Openeye Name: 1-[(1S)-2-(1-acetylindolin-6-yl)-1-methyl-2-oxo-ethyl]piperidin-1-ium-4-carboxylate CAS Name: 1-[(2S)-1-(1-acetyl-2,3-dihydroindol-6-yl)-1-oxopropan-2-yl]-4-piperidin-1-iumcarboxylate IUPAC Name: 1-[(2S)-1-(1-acetyl-2,3-dihydroindol-6-yl)-1-oxopropan-2-yl]piperidin-1-ium-4-carboxylate Traditional Name: 1-[(1S)-2-(1-acetylindolin-6-yl)-2-keto-1-methyl-ethyl]piperidin-1-ium-4-carboxylate Formula: C19H24N2O4 MolecularWeight: 344.40486

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)C1=CC2=C(CCN2C(=O)C)C=C1)[NH+]3CCC(CC3)C(=O)[O-]

Isomeric SMILES

C[C@@H](C(=O)C1=CC2=C(CCN2C(=O)C)C=C1)[NH+]3CCC(CC3)C(=O)[O-]

InChI

InChI=1S/C19H24N2O4/c1-12(20-8-5-15(6-9-20)19(24)25)18(23)16-4-3-14-7-10-21(13(2)22)17(14)11-16/h3-4,11-12,15H,5-10H2,1-2H3,(H,24,25)/t12-/m0/s1