[8-(2-methoxy-2-oxidanylidene-ethyl)-8-methyl-8-azoniabicyclo[3.2.1]octan-3-yl] 2-cyclopentyl-2-phenyl-ethanoate hydrobromide

Systemtic Name: [8-(2-methoxy-2-oxidanylidene-ethyl)-8-methyl-8-azoniabicyclo[3.2.1]octan-3-yl] 2-cyclopentyl-2-phenyl-ethanoate hydrobromide Openeye Name: [8-(2-methoxy-2-oxo-ethyl)-8-methyl-8-azoniabicyclo[3.2.1]octan-3-yl] 2-cyclopentyl-2-phenyl-acetate hydrobromide CAS Name: 2-cyclopentyl-2-phenylacetic acid [8-(2-methoxy-2-oxoethyl)-8-methyl-8-azoniabicyclo[3.2.1]octan-3-yl] ester hydrobromide IUPAC Name: [8-(2-methoxy-2-oxoethyl)-8-methyl-8-azoniabicyclo[3.2.1]octan-3-yl] 2-cyclopentyl-2-phenylacetate hydrobromide Traditional Name: 2-cyclopentyl-2-phenyl-acetic acid [8-(2-keto-2-methoxy-ethyl)-8-methyl-8-azoniabicyclo[3.2.1]octan-3-yl] ester hydrobromide Formula: C24H35BrNO4+ MolecularWeight: 481.443

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C[N+]1(C2CCC1CC(C2)OC(=O)C(C3CCCC3)C4=CC=CC=C4)CC(=O)OC.Br

Isomeric SMILES

C[N+]1(C2CCC1CC(C2)OC(=O)C(C3CCCC3)C4=CC=CC=C4)CC(=O)OC.Br

InChI

InChI=1S/C24H34NO4.BrH/c1-25(16-22(26)28-2)19-12-13-20(25)15-21(14-19)29-24(27)23(18-10-6-7-11-18)17-8-4-3-5-9-17;/h3-5,8-9,18-21,23H,6-7,10-16H2,1-2H3;1H/q+1;