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

Systemtic Name: 1-[2-(1-ethanoyl-2,3-dihydroindol-6-yl)-2-oxidanylidene-ethyl]piperidin-1-ium-4-carboxylate Openeye Name: 1-[2-(1-acetylindolin-6-yl)-2-oxo-ethyl]piperidin-1-ium-4-carboxylate CAS Name: 1-[2-(1-acetyl-2,3-dihydroindol-6-yl)-2-oxoethyl]-4-piperidin-1-iumcarboxylate IUPAC Name: 1-[2-(1-acetyl-2,3-dihydroindol-6-yl)-2-oxoethyl]piperidin-1-ium-4-carboxylate Traditional Name: 1-[2-(1-acetylindolin-6-yl)-2-keto-ethyl]piperidin-1-ium-4-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+]3CCC(CC3)C(=O)[O-]

Isomeric SMILES

CC(=O)N1CCC2=C1C=C(C=C2)C(=O)C[NH+]3CCC(CC3)C(=O)[O-]

InChI

InChI=1S/C18H22N2O4/c1-12(21)20-9-6-13-2-3-15(10-16(13)20)17(22)11-19-7-4-14(5-8-19)18(23)24/h2-3,10,14H,4-9,11H2,1H3,(H,23,24)