methyl 4-phenylazanyl-1-(phenylmethyl)piperidin-1-ium-4-carboxylate

Systemtic Name: methyl 4-phenylazanyl-1-(phenylmethyl)piperidin-1-ium-4-carboxylate Openeye Name: methyl 4-anilino-1-benzyl-piperidin-1-ium-4-carboxylate CAS Name: 4-anilino-1-(phenylmethyl)-4-piperidin-1-iumcarboxylic acid methyl ester IUPAC Name: methyl 4-anilino-1-benzylpiperidin-1-ium-4-carboxylate Traditional Name: 4-anilino-1-benzyl-piperidin-1-ium-4-carboxylic acid methyl ester Formula: C20H25N2O2+ MolecularWeight: 325.4247

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1(CC[NH+](CC1)CC2=CC=CC=C2)NC3=CC=CC=C3

Isomeric SMILES

COC(=O)C1(CC[NH+](CC1)CC2=CC=CC=C2)NC3=CC=CC=C3

InChI

InChI=1S/C20H24N2O2/c1-24-19(23)20(21-18-10-6-3-7-11-18)12-14-22(15-13-20)16-17-8-4-2-5-9-17/h2-11,21H,12-16H2,1H3/p+1