[1-(3-thiophen-2-ylpropyl)-1-azoniabicyclo[2.2.2]octan-3-yl] 2-oxidanyl-2-thiophen-2-yl-heptanoate

Systemtic Name: [1-(3-thiophen-2-ylpropyl)-1-azoniabicyclo[2.2.2]octan-3-yl] 2-oxidanyl-2-thiophen-2-yl-heptanoate Openeye Name: [1-[3-(2-thienyl)propyl]quinuclidin-1-ium-3-yl] 2-hydroxy-2-(2-thienyl)heptanoate CAS Name: 2-hydroxy-2-thiophen-2-ylheptanoic acid [1-(3-thiophen-2-ylpropyl)-1-azoniabicyclo[2.2.2]octan-3-yl] ester IUPAC Name: [1-(3-thiophen-2-ylpropyl)-1-azoniabicyclo[2.2.2]octan-3-yl] 2-hydroxy-2-thiophen-2-ylheptanoate Traditional Name: 2-hydroxy-2-(2-thienyl)enanthic acid [1-[3-(2-thienyl)propyl]quinuclidin-1-ium-3-yl] ester Formula: C25H36NO3S2+ MolecularWeight: 462.68824

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(C1=CC=CS1)(C(=O)OC2C[N+]3(CCC2CC3)CCCC4=CC=CS4)O

Isomeric SMILES

CCCCCC(C1=CC=CS1)(C(=O)OC2C[N+]3(CCC2CC3)CCCC4=CC=CS4)O

InChI

InChI=1S/C25H36NO3S2/c1-2-3-4-13-25(28,23-10-7-18-31-23)24(27)29-22-19-26(15-11-20(22)12-16-26)14-5-8-21-9-6-17-30-21/h6-7,9-10,17-18,20,22,28H,2-5,8,11-16,19H2,1H3/q+1