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

Systemtic Name: [1-(3-thiophen-2-ylpropyl)-1-azoniabicyclo[2.2.2]octan-3-yl] 2-oxidanyl-2-thiophen-2-yl-but-3-enoate Openeye Name: [1-[3-(2-thienyl)propyl]quinuclidin-1-ium-3-yl] 2-hydroxy-2-(2-thienyl)but-3-enoate CAS Name: 2-hydroxy-2-thiophen-2-yl-3-butenoic 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-ylbut-3-enoate Traditional Name: 2-hydroxy-2-(2-thienyl)but-3-enoic acid [1-[3-(2-thienyl)propyl]quinuclidin-1-ium-3-yl] ester Formula: C22H28NO3S2+ MolecularWeight: 418.59262

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H28NO3S2/c1-2-22(25,20-8-5-15-28-20)21(24)26-19-16-23(12-9-17(19)10-13-23)11-3-6-18-7-4-14-27-18/h2,4-5,7-8,14-15,17,19,25H,1,3,6,9-13,16H2/q+1