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

Systemtic Name: (3S)-1-[(2R)-1-(naphthalen-2-ylamino)-1-oxidanylidene-propan-2-yl]piperidin-1-ium-3-carboxamide Openeye Name: (3S)-1-[(1R)-1-methyl-2-(2-naphthylamino)-2-oxo-ethyl]piperidin-1-ium-3-carboxamide CAS Name: (3S)-1-[(2R)-1-(2-naphthalenylamino)-1-oxopropan-2-yl]-3-piperidin-1-iumcarboxamide IUPAC Name: (3S)-1-[(2R)-1-(naphthalen-2-ylamino)-1-oxopropan-2-yl]piperidin-1-ium-3-carboxamide Traditional Name: (3S)-1-[(1R)-2-keto-1-methyl-2-(2-naphthylamino)ethyl]piperidin-1-ium-3-carboxamide Formula: C19H24N3O2+ MolecularWeight: 326.41276

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC2=CC=CC=C2C=C1)[NH+]3CCCC(C3)C(=O)N

Isomeric SMILES

C[C@H](C(=O)NC1=CC2=CC=CC=C2C=C1)[NH+]3CCC[C@@H](C3)C(=O)N

InChI

InChI=1S/C19H23N3O2/c1-13(22-10-4-7-16(12-22)18(20)23)19(24)21-17-9-8-14-5-2-3-6-15(14)11-17/h2-3,5-6,8-9,11,13,16H,4,7,10,12H2,1H3,(H2,20,23)(H,21,24)/p+1/t13-,16+/m1/s1