2-(1-methylpiperidin-1-ium-1-yl)ethyl 2-oxidanyl-2,2-diphenyl-ethanoate iodide

Systemtic Name: 2-(1-methylpiperidin-1-ium-1-yl)ethyl 2-oxidanyl-2,2-diphenyl-ethanoate iodide Openeye Name: 2-(1-methylpiperidin-1-ium-1-yl)ethyl 2-hydroxy-2,2-diphenyl-acetate iodide CAS Name: 2-hydroxy-2,2-diphenylacetic acid 2-(1-methyl-1-piperidin-1-iumyl)ethyl ester iodide IUPAC Name: 2-(1-methylpiperidin-1-ium-1-yl)ethyl 2-hydroxy-2,2-diphenylacetate iodide Traditional Name: 2-hydroxy-2,2-diphenyl-acetic acid 2-(1-methylpiperidin-1-ium-1-yl)ethyl ester iodide Formula: C22H28INO3 MolecularWeight: 481.36709

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H28NO3.HI/c1-23(15-9-4-10-16-23)17-18-26-21(24)22(25,19-11-5-2-6-12-19)20-13-7-3-8-14-20;/h2-3,5-8,11-14,25H,4,9-10,15-18H2,1H3;1H/q+1;/p-1