methyl (2R)-1-[[4-(2-cyanophenyl)phenyl]methyl]piperidin-1-ium-2-carboxylate

Systemtic Name: methyl (2R)-1-[[4-(2-cyanophenyl)phenyl]methyl]piperidin-1-ium-2-carboxylate Openeye Name: methyl (2R)-1-[[4-(2-cyanophenyl)phenyl]methyl]piperidin-1-ium-2-carboxylate CAS Name: (2R)-1-[[4-(2-cyanophenyl)phenyl]methyl]-2-piperidin-1-iumcarboxylic acid methyl ester IUPAC Name: methyl (2R)-1-[[4-(2-cyanophenyl)phenyl]methyl]piperidin-1-ium-2-carboxylate Traditional Name: (2R)-1-[4-(2-cyanophenyl)benzyl]piperidin-1-ium-2-carboxylic acid methyl ester Formula: C21H23N2O2+ MolecularWeight: 335.41952

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1CCCC[NH+]1CC2=CC=C(C=C2)C3=CC=CC=C3C#N

Isomeric SMILES

COC(=O)[C@H]1CCCC[NH+]1CC2=CC=C(C=C2)C3=CC=CC=C3C#N

InChI

InChI=1S/C21H22N2O2/c1-25-21(24)20-8-4-5-13-23(20)15-16-9-11-17(12-10-16)19-7-3-2-6-18(19)14-22/h2-3,6-7,9-12,20H,4-5,8,13,15H2,1H3/p+1/t20-/m1/s1