methyl 4-[2-[4-(phenylmethyl)piperidin-1-ium-1-yl]ethanoylamino]benzoate

Systemtic Name: methyl 4-[2-[4-(phenylmethyl)piperidin-1-ium-1-yl]ethanoylamino]benzoate Openeye Name: methyl 4-[[2-(4-benzylpiperidin-1-ium-1-yl)acetyl]amino]benzoate CAS Name: 4-[[1-oxo-2-[4-(phenylmethyl)-1-piperidin-1-iumyl]ethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 4-[[2-(4-benzylpiperidin-1-ium-1-yl)acetyl]amino]benzoate Traditional Name: 4-[[2-(4-benzylpiperidin-1-ium-1-yl)acetyl]amino]benzoic acid methyl ester Formula: C22H27N2O3+ MolecularWeight: 367.46138

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)NC(=O)C[NH+]2CCC(CC2)CC3=CC=CC=C3

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)NC(=O)C[NH+]2CCC(CC2)CC3=CC=CC=C3

InChI

InChI=1S/C22H26N2O3/c1-27-22(26)19-7-9-20(10-8-19)23-21(25)16-24-13-11-18(12-14-24)15-17-5-3-2-4-6-17/h2-10,18H,11-16H2,1H3,(H,23,25)/p+1