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

Systemtic Name: 1-[2-[(2S)-2-methyl-2,3-dihydroindol-1-yl]-2-oxidanylidene-ethyl]piperidin-1-ium-4-carboxamide Openeye Name: 1-[2-[(2S)-2-methylindolin-1-yl]-2-oxo-ethyl]piperidin-1-ium-4-carboxamide CAS Name: 1-[2-[(2S)-2-methyl-2,3-dihydroindol-1-yl]-2-oxoethyl]-4-piperidin-1-iumcarboxamide IUPAC Name: 1-[2-[(2S)-2-methyl-2,3-dihydroindol-1-yl]-2-oxoethyl]piperidin-1-ium-4-carboxamide Traditional Name: 1-[2-keto-2-[(2S)-2-methylindolin-1-yl]ethyl]piperidin-1-ium-4-carboxamide Formula: C17H24N3O2+ MolecularWeight: 302.39136

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H23N3O2/c1-12-10-14-4-2-3-5-15(14)20(12)16(21)11-19-8-6-13(7-9-19)17(18)22/h2-5,12-13H,6-11H2,1H3,(H2,18,22)/p+1/t12-/m0/s1