[4-[3-(8-methyl-3-oxidanyl-8-azoniabicyclo[3.2.1]octan-8-yl)propyl]-2-propanoyloxy-phenyl] propanoate bromide

Systemtic Name: [4-[3-(8-methyl-3-oxidanyl-8-azoniabicyclo[3.2.1]octan-8-yl)propyl]-2-propanoyloxy-phenyl] propanoate bromide Openeye Name: [4-[3-(3-hydroxy-8-methyl-8-azoniabicyclo[3.2.1]octan-8-yl)propyl]-2-propanoyloxy-phenyl] propanoate bromide CAS Name: propanoic acid [4-[3-(3-hydroxy-8-methyl-8-azoniabicyclo[3.2.1]octan-8-yl)propyl]-2-(1-oxopropoxy)phenyl] ester bromide IUPAC Name: [4-[3-(3-hydroxy-8-methyl-8-azoniabicyclo[3.2.1]octan-8-yl)propyl]-2-propanoyloxyphenyl] propanoate bromide Traditional Name: propionic acid [4-[3-(3-hydroxy-8-methyl-8-azoniabicyclo[3.2.1]octan-8-yl)propyl]-2-propionyloxy-phenyl] ester bromide Formula: C23H34BrNO5 MolecularWeight: 484.42376

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)OC1=C(C=C(C=C1)CCC[N+]2(C3CCC2CC(C3)O)C)OC(=O)CC.[Br-]

Isomeric SMILES

CCC(=O)OC1=C(C=C(C=C1)CCC[N+]2(C3CCC2CC(C3)O)C)OC(=O)CC.[Br-]

InChI

InChI=1S/C23H34NO5.BrH/c1-4-22(26)28-20-11-8-16(13-21(20)29-23(27)5-2)7-6-12-24(3)17-9-10-18(24)15-19(25)14-17;/h8,11,13,17-19,25H,4-7,9-10,12,14-15H2,1-3H3;1H/q+1;/p-1