[1-(2-methoxy-2-oxidanylidene-ethyl)-1-methyl-pyrrolidin-1-ium-3-yl] 2-(1-oxidanylcyclopentyl)-2-phenyl-ethanoate bromide

Systemtic Name: [1-(2-methoxy-2-oxidanylidene-ethyl)-1-methyl-pyrrolidin-1-ium-3-yl] 2-(1-oxidanylcyclopentyl)-2-phenyl-ethanoate bromide Openeye Name: [1-(2-methoxy-2-oxo-ethyl)-1-methyl-pyrrolidin-1-ium-3-yl] 2-(1-hydroxycyclopentyl)-2-phenyl-acetate bromide CAS Name: 2-(1-hydroxycyclopentyl)-2-phenylacetic acid [1-(2-methoxy-2-oxoethyl)-1-methyl-3-pyrrolidin-1-iumyl] ester bromide IUPAC Name: [1-(2-methoxy-2-oxoethyl)-1-methylpyrrolidin-1-ium-3-yl] 2-(1-hydroxycyclopentyl)-2-phenylacetate bromide Traditional Name: 2-(1-hydroxycyclopentyl)-2-phenyl-acetic acid [1-(2-keto-2-methoxy-ethyl)-1-methyl-pyrrolidin-1-ium-3-yl] ester bromide Formula: C21H30BrNO5 MolecularWeight: 456.3706

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C[N+]1(CCC(C1)OC(=O)C(C2=CC=CC=C2)C3(CCCC3)O)CC(=O)OC.[Br-]

Isomeric SMILES

C[N+]1(CCC(C1)OC(=O)C(C2=CC=CC=C2)C3(CCCC3)O)CC(=O)OC.[Br-]

InChI

InChI=1S/C21H30NO5.BrH/c1-22(15-18(23)26-2)13-10-17(14-22)27-20(24)19(16-8-4-3-5-9-16)21(25)11-6-7-12-21;/h3-5,8-9,17,19,25H,6-7,10-15H2,1-2H3;1H/q+1;/p-1