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

Systemtic Name: methyl 1-[(2R)-1-[(3-chlorophenyl)amino]-1-oxidanylidene-propan-2-yl]piperidin-1-ium-4-carboxylate Openeye Name: methyl 1-[(1R)-2-(3-chloroanilino)-1-methyl-2-oxo-ethyl]piperidin-1-ium-4-carboxylate CAS Name: 1-[(2R)-1-(3-chloroanilino)-1-oxopropan-2-yl]-4-piperidin-1-iumcarboxylic acid methyl ester IUPAC Name: methyl 1-[(2R)-1-(3-chloroanilino)-1-oxopropan-2-yl]piperidin-1-ium-4-carboxylate Traditional Name: 1-[(1R)-2-(3-chloroanilino)-2-keto-1-methyl-ethyl]piperidin-1-ium-4-carboxylic acid methyl ester Formula: C16H22ClN2O3+ MolecularWeight: 325.81048

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H21ClN2O3/c1-11(15(20)18-14-5-3-4-13(17)10-14)19-8-6-12(7-9-19)16(21)22-2/h3-5,10-12H,6-9H2,1-2H3,(H,18,20)/p+1/t11-/m1/s1