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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NCC1=CC=CC=C1)[NH+]2CCCC(C2)C(=O)N

Isomeric SMILES

C[C@H](C(=O)NCC1=CC=CC=C1)[NH+]2CCC[C@@H](C2)C(=O)N

InChI

InChI=1S/C16H23N3O2/c1-12(19-9-5-8-14(11-19)15(17)20)16(21)18-10-13-6-3-2-4-7-13/h2-4,6-7,12,14H,5,8-11H2,1H3,(H2,17,20)(H,18,21)/p+1/t12-,14+/m1/s1