2-(1-methylpiperidin-1-ium-1-yl)ethyl 2-methyl-2-phenyl-butanoate iodide

Systemtic Name: 2-(1-methylpiperidin-1-ium-1-yl)ethyl 2-methyl-2-phenyl-butanoate iodide Openeye Name: 2-(1-methylpiperidin-1-ium-1-yl)ethyl 2-methyl-2-phenyl-butanoate iodide CAS Name: 2-methyl-2-phenylbutanoic acid 2-(1-methyl-1-piperidin-1-iumyl)ethyl ester iodide IUPAC Name: 2-(1-methylpiperidin-1-ium-1-yl)ethyl 2-methyl-2-phenylbutanoate iodide Traditional Name: 2-methyl-2-phenyl-butyric acid 2-(1-methylpiperidin-1-ium-1-yl)ethyl ester iodide Formula: C19H30INO2 MolecularWeight: 431.35147

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(C)(C1=CC=CC=C1)C(=O)OCC[N+]2(CCCCC2)C.[I-]

Isomeric SMILES

CCC(C)(C1=CC=CC=C1)C(=O)OCC[N+]2(CCCCC2)C.[I-]

InChI

InChI=1S/C19H30NO2.HI/c1-4-19(2,17-11-7-5-8-12-17)18(21)22-16-15-20(3)13-9-6-10-14-20;/h5,7-8,11-12H,4,6,9-10,13-16H2,1-3H3;1H/q+1;/p-1