methyl 1-[(2R)-1-[(3-methoxyphenyl)amino]-1-oxidanylidene-propan-2-yl]piperidin-1-ium-4-carboxylate

Systemtic Name: methyl 1-[(2R)-1-[(3-methoxyphenyl)amino]-1-oxidanylidene-propan-2-yl]piperidin-1-ium-4-carboxylate Openeye Name: methyl 1-[(1R)-2-(3-methoxyanilino)-1-methyl-2-oxo-ethyl]piperidin-1-ium-4-carboxylate CAS Name: 1-[(2R)-1-(3-methoxyanilino)-1-oxopropan-2-yl]-4-piperidin-1-iumcarboxylic acid methyl ester IUPAC Name: methyl 1-[(2R)-1-(3-methoxyanilino)-1-oxopropan-2-yl]piperidin-1-ium-4-carboxylate Traditional Name: 1-[(1R)-2-keto-2-(m-anisidino)-1-methyl-ethyl]piperidin-1-ium-4-carboxylic acid methyl ester Formula: C17H25N2O4+ MolecularWeight: 321.3914

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H24N2O4/c1-12(19-9-7-13(8-10-19)17(21)23-3)16(20)18-14-5-4-6-15(11-14)22-2/h4-6,11-13H,7-10H2,1-3H3,(H,18,20)/p+1/t12-/m1/s1