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

Systemtic Name: (3S)-1-[(2R)-1-[(3-methoxyphenyl)amino]-1-oxidanylidene-propan-2-yl]piperidin-1-ium-3-carboxamide Openeye Name: (3S)-1-[(1R)-2-(3-methoxyanilino)-1-methyl-2-oxo-ethyl]piperidin-1-ium-3-carboxamide CAS Name: (3S)-1-[(2R)-1-(3-methoxyanilino)-1-oxopropan-2-yl]-3-piperidin-1-iumcarboxamide IUPAC Name: (3S)-1-[(2R)-1-(3-methoxyanilino)-1-oxopropan-2-yl]piperidin-1-ium-3-carboxamide Traditional Name: (3S)-1-[(1R)-2-keto-2-(m-anisidino)-1-methyl-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=C1)OC)[NH+]2CCCC(C2)C(=O)N

Isomeric SMILES

C[C@H](C(=O)NC1=CC(=CC=C1)OC)[NH+]2CCC[C@@H](C2)C(=O)N

InChI

InChI=1S/C16H23N3O3/c1-11(19-8-4-5-12(10-19)15(17)20)16(21)18-13-6-3-7-14(9-13)22-2/h3,6-7,9,11-12H,4-5,8,10H2,1-2H3,(H2,17,20)(H,18,21)/p+1/t11-,12+/m1/s1