1-[(2S)-1-[(4-methylphenyl)methylamino]-1-oxidanylidene-propan-2-yl]piperidin-1-ium-4-carboxamide

Systemtic Name: 1-[(2S)-1-[(4-methylphenyl)methylamino]-1-oxidanylidene-propan-2-yl]piperidin-1-ium-4-carboxamide Openeye Name: 1-[(1S)-1-methyl-2-oxo-2-(p-tolylmethylamino)ethyl]piperidin-1-ium-4-carboxamide CAS Name: 1-[(2S)-1-[(4-methylphenyl)methylamino]-1-oxopropan-2-yl]-4-piperidin-1-iumcarboxamide IUPAC Name: 1-[(2S)-1-[(4-methylphenyl)methylamino]-1-oxopropan-2-yl]piperidin-1-ium-4-carboxamide Traditional Name: 1-[(1S)-2-keto-1-methyl-2-[(4-methylbenzyl)amino]ethyl]piperidin-1-ium-4-carboxamide Formula: C17H26N3O2+ MolecularWeight: 304.40724

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CNC(=O)C(C)[NH+]2CCC(CC2)C(=O)N

Isomeric SMILES

CC1=CC=C(C=C1)CNC(=O)[C@H](C)[NH+]2CCC(CC2)C(=O)N

InChI

InChI=1S/C17H25N3O2/c1-12-3-5-14(6-4-12)11-19-17(22)13(2)20-9-7-15(8-10-20)16(18)21/h3-6,13,15H,7-11H2,1-2H3,(H2,18,21)(H,19,22)/p+1/t13-/m0/s1