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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC2=CC=CC=C2N1C(=O)C[NH+]3CCCC(C3)C(=O)N

Isomeric SMILES

C[C@H]1CC2=CC=CC=C2N1C(=O)C[NH+]3CCC[C@@H](C3)C(=O)N

InChI

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