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

Systemtic Name: methyl 3-[[1-(phenylmethyl)piperidin-1-ium-4-yl]carbonylamino]benzoate Openeye Name: methyl 3-[(1-benzylpiperidin-1-ium-4-carbonyl)amino]benzoate CAS Name: 3-[[oxo-[1-(phenylmethyl)-4-piperidin-1-iumyl]methyl]amino]benzoic acid methyl ester IUPAC Name: methyl 3-[(1-benzylpiperidin-1-ium-4-carbonyl)amino]benzoate Traditional Name: 3-[(1-benzylpiperidin-1-ium-4-carbonyl)amino]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)NC(=O)C2CC[NH+](CC2)CC3=CC=CC=C3

Isomeric SMILES

COC(=O)C1=CC(=CC=C1)NC(=O)C2CC[NH+](CC2)CC3=CC=CC=C3

InChI

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