2-(1-methylpiperidin-1-ium-1-yl)ethyl 2-cyclohexyl-2-oxidanyl-2-phenyl-ethanoate bromide

Systemtic Name: 2-(1-methylpiperidin-1-ium-1-yl)ethyl 2-cyclohexyl-2-oxidanyl-2-phenyl-ethanoate bromide Openeye Name: 2-(1-methylpiperidin-1-ium-1-yl)ethyl 2-cyclohexyl-2-hydroxy-2-phenyl-acetate bromide CAS Name: 2-cyclohexyl-2-hydroxy-2-phenylacetic acid 2-(1-methyl-1-piperidin-1-iumyl)ethyl ester bromide IUPAC Name: 2-(1-methylpiperidin-1-ium-1-yl)ethyl 2-cyclohexyl-2-hydroxy-2-phenylacetate bromide Traditional Name: 2-cyclohexyl-2-hydroxy-2-phenyl-acetic acid 2-(1-methylpiperidin-1-ium-1-yl)ethyl ester bromide Formula: C22H34BrNO3 MolecularWeight: 440.41426

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C[N+]1(CCCCC1)CCOC(=O)C(C2CCCCC2)(C3=CC=CC=C3)O.[Br-]

Isomeric SMILES

C[N+]1(CCCCC1)CCOC(=O)C(C2CCCCC2)(C3=CC=CC=C3)O.[Br-]

InChI

InChI=1S/C22H34NO3.BrH/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;/h2,5-6,11-12,20,25H,3-4,7-10,13-18H2,1H3;1H/q+1;/p-1