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

Systemtic Name: [1-(3-phenoxypropyl)-1-azoniabicyclo[2.2.2]octan-3-yl] 2-oxidanyl-2-thiophen-2-yl-pent-4-enoate Openeye Name: [1-(3-phenoxypropyl)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-phenoxypropyl)-1-azoniabicyclo[2.2.2]octan-3-yl] ester IUPAC Name: [1-(3-phenoxypropyl)-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-phenoxypropyl)quinuclidin-1-ium-3-yl] ester Formula: C25H32NO4S+ MolecularWeight: 442.59088

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Descriptors Computed from Structure

Canonical SMILES:

C=CCC(C1=CC=CS1)(C(=O)OC2C[N+]3(CCC2CC3)CCCOC4=CC=CC=C4)O

Isomeric SMILES

C=CCC(C1=CC=CS1)(C(=O)OC2C[N+]3(CCC2CC3)CCCOC4=CC=CC=C4)O

InChI

InChI=1S/C25H32NO4S/c1-2-13-25(28,23-10-6-18-31-23)24(27)30-22-19-26(15-11-20(22)12-16-26)14-7-17-29-21-8-4-3-5-9-21/h2-6,8-10,18,20,22,28H,1,7,11-17,19H2/q+1