2-(1,1,5-trimethylpyrrolidin-1-ium-2-yl)ethyl 2-oxidanyl-2,2-diphenyl-ethanoate iodide

Systemtic Name: 2-(1,1,5-trimethylpyrrolidin-1-ium-2-yl)ethyl 2-oxidanyl-2,2-diphenyl-ethanoate iodide Openeye Name: 2-(1,1,5-trimethylpyrrolidin-1-ium-2-yl)ethyl 2-hydroxy-2,2-diphenyl-acetate iodide CAS Name: 2-hydroxy-2,2-diphenylacetic acid 2-(1,1,5-trimethyl-2-pyrrolidin-1-iumyl)ethyl ester iodide IUPAC Name: 2-(1,1,5-trimethylpyrrolidin-1-ium-2-yl)ethyl 2-hydroxy-2,2-diphenylacetate iodide Traditional Name: 2-hydroxy-2,2-diphenyl-acetic acid 2-(1,1,5-trimethylpyrrolidin-1-ium-2-yl)ethyl ester iodide Formula: C23H30INO3 MolecularWeight: 495.39367

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1CCC([N+]1(C)C)CCOC(=O)C(C2=CC=CC=C2)(C3=CC=CC=C3)O.[I-]

Isomeric SMILES

CC1CCC([N+]1(C)C)CCOC(=O)C(C2=CC=CC=C2)(C3=CC=CC=C3)O.[I-]

InChI

InChI=1S/C23H30NO3.HI/c1-18-14-15-21(24(18,2)3)16-17-27-22(25)23(26,19-10-6-4-7-11-19)20-12-8-5-9-13-20;/h4-13,18,21,26H,14-17H2,1-3H3;1H/q+1;/p-1