(3S)-1-[(2S)-1-[(3-methylphenyl)amino]-1-oxidanylidene-propan-2-yl]piperidin-1-ium-3-carboxamide

Systemtic Name: (3S)-1-[(2S)-1-[(3-methylphenyl)amino]-1-oxidanylidene-propan-2-yl]piperidin-1-ium-3-carboxamide Openeye Name: (3S)-1-[(1S)-1-methyl-2-(3-methylanilino)-2-oxo-ethyl]piperidin-1-ium-3-carboxamide CAS Name: (3S)-1-[(2S)-1-(3-methylanilino)-1-oxopropan-2-yl]-3-piperidin-1-iumcarboxamide IUPAC Name: (3S)-1-[(2S)-1-(3-methylanilino)-1-oxopropan-2-yl]piperidin-1-ium-3-carboxamide Traditional Name: (3S)-1-[(1S)-2-keto-1-methyl-2-(m-toluidino)ethyl]piperidin-1-ium-3-carboxamide Formula: C16H24N3O2+ MolecularWeight: 290.38066

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)NC(=O)C(C)[NH+]2CCCC(C2)C(=O)N

Isomeric SMILES

CC1=CC(=CC=C1)NC(=O)[C@H](C)[NH+]2CCC[C@@H](C2)C(=O)N

InChI

InChI=1S/C16H23N3O2/c1-11-5-3-7-14(9-11)18-16(21)12(2)19-8-4-6-13(10-19)15(17)20/h3,5,7,9,12-13H,4,6,8,10H2,1-2H3,(H2,17,20)(H,18,21)/p+1/t12-,13-/m0/s1