N-[(1-methylpiperidin-1-ium-3-yl)methyl]-N,2,2-triphenyl-ethanamide iodide

Systemtic Name: N-[(1-methylpiperidin-1-ium-3-yl)methyl]-N,2,2-triphenyl-ethanamide iodide Openeye Name: N-[(1-methylpiperidin-1-ium-3-yl)methyl]-N,2,2-triphenyl-acetamide iodide CAS Name: N-[(1-methyl-3-piperidin-1-iumyl)methyl]-N,2,2-triphenylacetamide iodide IUPAC Name: N-[(1-methylpiperidin-1-ium-3-yl)methyl]-N,2,2-triphenylacetamide iodide Traditional Name: N-[(1-methylpiperidin-1-ium-3-yl)methyl]-N,2,2-triphenyl-acetamide iodide Formula: C27H31IN2O MolecularWeight: 526.45231

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCCC(C1)CN(C2=CC=CC=C2)C(=O)C(C3=CC=CC=C3)C4=CC=CC=C4.[I-]

Isomeric SMILES

C[NH+]1CCCC(C1)CN(C2=CC=CC=C2)C(=O)C(C3=CC=CC=C3)C4=CC=CC=C4.[I-]

InChI

InChI=1S/C27H30N2O.HI/c1-28-19-11-12-22(20-28)21-29(25-17-9-4-10-18-25)27(30)26(23-13-5-2-6-14-23)24-15-7-3-8-16-24;/h2-10,13-18,22,26H,11-12,19-21H2,1H3;1H