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

Systemtic Name: 1-[2-[(2S)-2-methyl-2,3-dihydroindol-1-yl]-2-oxidanylidene-ethyl]piperidin-1-ium-4-carboxylate Openeye Name: 1-[2-[(2S)-2-methylindolin-1-yl]-2-oxo-ethyl]piperidin-1-ium-4-carboxylate CAS Name: 1-[2-[(2S)-2-methyl-2,3-dihydroindol-1-yl]-2-oxoethyl]-4-piperidin-1-iumcarboxylate IUPAC Name: 1-[2-[(2S)-2-methyl-2,3-dihydroindol-1-yl]-2-oxoethyl]piperidin-1-ium-4-carboxylate Traditional Name: 1-[2-keto-2-[(2S)-2-methylindolin-1-yl]ethyl]piperidin-1-ium-4-carboxylate Formula: C17H22N2O3 MolecularWeight: 302.36818

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC2=CC=CC=C2N1C(=O)C[NH+]3CCC(CC3)C(=O)[O-]

Isomeric SMILES

C[C@H]1CC2=CC=CC=C2N1C(=O)C[NH+]3CCC(CC3)C(=O)[O-]

InChI

InChI=1S/C17H22N2O3/c1-12-10-14-4-2-3-5-15(14)19(12)16(20)11-18-8-6-13(7-9-18)17(21)22/h2-5,12-13H,6-11H2,1H3,(H,21,22)/t12-/m0/s1