2-(1,2,5-trimethylpyrrolidin-1-ium-1-yl)ethyl 2-cyclohex-2-en-1-yl-2-phenyl-ethanoate bromide

Systemtic Name: 2-(1,2,5-trimethylpyrrolidin-1-ium-1-yl)ethyl 2-cyclohex-2-en-1-yl-2-phenyl-ethanoate bromide Openeye Name: 2-(1,2,5-trimethylpyrrolidin-1-ium-1-yl)ethyl 2-cyclohex-2-en-1-yl-2-phenyl-acetate bromide CAS Name: 2-(1-cyclohex-2-enyl)-2-phenylacetic acid 2-(1,2,5-trimethyl-1-pyrrolidin-1-iumyl)ethyl ester bromide IUPAC Name: 2-(1,2,5-trimethylpyrrolidin-1-ium-1-yl)ethyl 2-cyclohex-2-en-1-yl-2-phenylacetate bromide Traditional Name: 2-cyclohex-2-en-1-yl-2-phenyl-acetic acid 2-(1,2,5-trimethylpyrrolidin-1-ium-1-yl)ethyl ester bromide Formula: C23H34BrNO2 MolecularWeight: 436.42556

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1CCC([N+]1(C)CCOC(=O)C(C2CCCC=C2)C3=CC=CC=C3)C.[Br-]

Isomeric SMILES

CC1CCC([N+]1(C)CCOC(=O)C(C2CCCC=C2)C3=CC=CC=C3)C.[Br-]

InChI

InChI=1S/C23H34NO2.BrH/c1-18-14-15-19(2)24(18,3)16-17-26-23(25)22(20-10-6-4-7-11-20)21-12-8-5-9-13-21;/h4,6-8,10-12,18-19,21-22H,5,9,13-17H2,1-3H3;1H/q+1;/p-1