4-(1-methylpiperidin-1-ium-1-yl)-2,2-diphenyl-butanamide iodide

Systemtic Name: 4-(1-methylpiperidin-1-ium-1-yl)-2,2-diphenyl-butanamide iodide Openeye Name: 4-(1-methylpiperidin-1-ium-1-yl)-2,2-diphenyl-butanamide iodide CAS Name: 4-(1-methyl-1-piperidin-1-iumyl)-2,2-diphenylbutanamide iodide IUPAC Name: 4-(1-methylpiperidin-1-ium-1-yl)-2,2-diphenylbutanamide iodide Traditional Name: 4-(1-methylpiperidin-1-ium-1-yl)-2,2-diphenyl-butyramide iodide Formula: C22H29IN2O MolecularWeight: 464.38293

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C[N+]1(CCCCC1)CCC(C2=CC=CC=C2)(C3=CC=CC=C3)C(=O)N.[I-]

Isomeric SMILES

C[N+]1(CCCCC1)CCC(C2=CC=CC=C2)(C3=CC=CC=C3)C(=O)N.[I-]

InChI

InChI=1S/C22H28N2O.HI/c1-24(16-9-4-10-17-24)18-15-22(21(23)25,19-11-5-2-6-12-19)20-13-7-3-8-14-20;/h2-3,5-8,11-14H,4,9-10,15-18H2,1H3,(H-,23,25);1H