methyl 1-[[(3R)-3-oxidanyl-2-oxidanylidene-1-phenethyl-piperidin-3-yl]methyl]piperidin-1-ium-4-carboxylate

Systemtic Name: methyl 1-[[(3R)-3-oxidanyl-2-oxidanylidene-1-phenethyl-piperidin-3-yl]methyl]piperidin-1-ium-4-carboxylate Openeye Name: methyl 1-[[(3R)-3-hydroxy-2-oxo-1-phenethyl-3-piperidyl]methyl]piperidin-1-ium-4-carboxylate CAS Name: 1-[[(3R)-3-hydroxy-2-oxo-1-phenethyl-3-piperidinyl]methyl]-4-piperidin-1-iumcarboxylic acid methyl ester IUPAC Name: methyl 1-[[(3R)-3-hydroxy-2-oxo-1-phenethylpiperidin-3-yl]methyl]piperidin-1-ium-4-carboxylate Traditional Name: 1-[[(3R)-3-hydroxy-2-keto-1-phenethyl-3-piperidyl]methyl]piperidin-1-ium-4-carboxylic acid methyl ester Formula: C21H31N2O4+ MolecularWeight: 375.48184

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1CC[NH+](CC1)CC2(CCCN(C2=O)CCC3=CC=CC=C3)O

Isomeric SMILES

COC(=O)C1CC[NH+](CC1)C[C@@]2(CCCN(C2=O)CCC3=CC=CC=C3)O

InChI

InChI=1S/C21H30N2O4/c1-27-19(24)18-9-13-22(14-10-18)16-21(26)11-5-12-23(20(21)25)15-8-17-6-3-2-4-7-17/h2-4,6-7,18,26H,5,8-16H2,1H3/p+1/t21-/m1/s1