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

Systemtic Name: (3R)-1-[(2S)-1-[(2-methoxyphenyl)amino]-1-oxidanylidene-propan-2-yl]piperidin-1-ium-3-carboxamide Openeye Name: (3R)-1-[(1S)-2-(2-methoxyanilino)-1-methyl-2-oxo-ethyl]piperidin-1-ium-3-carboxamide CAS Name: (3R)-1-[(2S)-1-(2-methoxyanilino)-1-oxopropan-2-yl]-3-piperidin-1-iumcarboxamide IUPAC Name: (3R)-1-[(2S)-1-(2-methoxyanilino)-1-oxopropan-2-yl]piperidin-1-ium-3-carboxamide Traditional Name: (3R)-1-[(1S)-2-keto-1-methyl-2-(o-anisidino)ethyl]piperidin-1-ium-3-carboxamide Formula: C16H24N3O3+ MolecularWeight: 306.38006

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC=CC=C1OC)[NH+]2CCCC(C2)C(=O)N

Isomeric SMILES

C[C@@H](C(=O)NC1=CC=CC=C1OC)[NH+]2CCC[C@H](C2)C(=O)N

InChI

InChI=1S/C16H23N3O3/c1-11(19-9-5-6-12(10-19)15(17)20)16(21)18-13-7-3-4-8-14(13)22-2/h3-4,7-8,11-12H,5-6,9-10H2,1-2H3,(H2,17,20)(H,18,21)/p+1/t11-,12+/m0/s1