methyl 3-[[1-(phenylmethyl)piperidin-1-ium-4-yl]carbamoyl]benzoate

Systemtic Name: methyl 3-[[1-(phenylmethyl)piperidin-1-ium-4-yl]carbamoyl]benzoate Openeye Name: methyl 3-[(1-benzylpiperidin-1-ium-4-yl)carbamoyl]benzoate CAS Name: 3-[oxo-[[1-(phenylmethyl)-4-piperidin-1-iumyl]amino]methyl]benzoic acid methyl ester IUPAC Name: methyl 3-[(1-benzylpiperidin-1-ium-4-yl)carbamoyl]benzoate Traditional Name: 3-[(1-benzylpiperidin-1-ium-4-yl)carbamoyl]benzoic acid methyl ester Formula: C21H25N2O3+ MolecularWeight: 353.4348

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=CC(=C1)C(=O)NC2CC[NH+](CC2)CC3=CC=CC=C3

Isomeric SMILES

COC(=O)C1=CC=CC(=C1)C(=O)NC2CC[NH+](CC2)CC3=CC=CC=C3

InChI

InChI=1S/C21H24N2O3/c1-26-21(25)18-9-5-8-17(14-18)20(24)22-19-10-12-23(13-11-19)15-16-6-3-2-4-7-16/h2-9,14,19H,10-13,15H2,1H3,(H,22,24)/p+1