[1-(3-thiophen-2-ylpropyl)-1-azoniabicyclo[2.2.2]octan-3-yl] 2-oxidanyl-2-thiophen-2-yl-pent-4-enoate

Systemtic Name: [1-(3-thiophen-2-ylpropyl)-1-azoniabicyclo[2.2.2]octan-3-yl] 2-oxidanyl-2-thiophen-2-yl-pent-4-enoate Openeye Name: [1-[3-(2-thienyl)propyl]quinuclidin-1-ium-3-yl] 2-hydroxy-2-(2-thienyl)pent-4-enoate CAS Name: 2-hydroxy-2-thiophen-2-yl-4-pentenoic 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-ylpent-4-enoate Traditional Name: 2-hydroxy-2-(2-thienyl)pent-4-enoic acid [1-[3-(2-thienyl)propyl]quinuclidin-1-ium-3-yl] ester Formula: C23H30NO3S2+ MolecularWeight: 432.6192

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H30NO3S2/c1-2-11-23(26,21-8-5-16-29-21)22(25)27-20-17-24(13-9-18(20)10-14-24)12-3-6-19-7-4-15-28-19/h2,4-5,7-8,15-16,18,20,26H,1,3,6,9-14,17H2/q+1