1-[(2R)-1-[(4-methoxyphenyl)amino]-1-oxidanylidene-propan-2-yl]piperidin-1-ium-4-carboxamide

Systemtic Name: 1-[(2R)-1-[(4-methoxyphenyl)amino]-1-oxidanylidene-propan-2-yl]piperidin-1-ium-4-carboxamide Openeye Name: 1-[(1R)-2-(4-methoxyanilino)-1-methyl-2-oxo-ethyl]piperidin-1-ium-4-carboxamide CAS Name: 1-[(2R)-1-(4-methoxyanilino)-1-oxopropan-2-yl]-4-piperidin-1-iumcarboxamide IUPAC Name: 1-[(2R)-1-(4-methoxyanilino)-1-oxopropan-2-yl]piperidin-1-ium-4-carboxamide Traditional Name: 1-[(1R)-2-keto-1-methyl-2-(p-anisidino)ethyl]piperidin-1-ium-4-carboxamide Formula: C16H24N3O3+ MolecularWeight: 306.38006

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC=C(C=C1)OC)[NH+]2CCC(CC2)C(=O)N

Isomeric SMILES

C[C@H](C(=O)NC1=CC=C(C=C1)OC)[NH+]2CCC(CC2)C(=O)N

InChI

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