N-[4-[(1-methylpiperidin-1-ium-1-yl)methyl]phenyl]-3-phenylmethoxy-benzamide iodide

Systemtic Name: N-[4-[(1-methylpiperidin-1-ium-1-yl)methyl]phenyl]-3-phenylmethoxy-benzamide iodide Openeye Name: 3-benzyloxy-N-[4-[(1-methylpiperidin-1-ium-1-yl)methyl]phenyl]benzamide iodide CAS Name: N-[4-[(1-methyl-1-piperidin-1-iumyl)methyl]phenyl]-3-phenylmethoxybenzamide iodide IUPAC Name: N-[4-[(1-methylpiperidin-1-ium-1-yl)methyl]phenyl]-3-phenylmethoxybenzamide iodide Traditional Name: 3-benzoxy-N-[4-[(1-methylpiperidin-1-ium-1-yl)methyl]phenyl]benzamide iodide Formula: C27H31IN2O2 MolecularWeight: 542.45171

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C[N+]1(CCCCC1)CC2=CC=C(C=C2)NC(=O)C3=CC(=CC=C3)OCC4=CC=CC=C4.[I-]

Isomeric SMILES

C[N+]1(CCCCC1)CC2=CC=C(C=C2)NC(=O)C3=CC(=CC=C3)OCC4=CC=CC=C4.[I-]

InChI

InChI=1S/C27H30N2O2.HI/c1-29(17-6-3-7-18-29)20-22-13-15-25(16-14-22)28-27(30)24-11-8-12-26(19-24)31-21-23-9-4-2-5-10-23;/h2,4-5,8-16,19H,3,6-7,17-18,20-21H2,1H3;1H