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

Systemtic Name: [1-(2-phenoxyethyl)-1-azoniabicyclo[2.2.2]octan-3-yl] 2-oxidanyl-2-thiophen-2-yl-pent-4-enoate Openeye Name: [1-(2-phenoxyethyl)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-(2-phenoxyethyl)-1-azoniabicyclo[2.2.2]octan-3-yl] ester IUPAC Name: [1-(2-phenoxyethyl)-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-(2-phenoxyethyl)quinuclidin-1-ium-3-yl] ester Formula: C24H30NO4S+ MolecularWeight: 428.5643

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Descriptors Computed from Structure

Canonical SMILES:

C=CCC(C1=CC=CS1)(C(=O)OC2C[N+]3(CCC2CC3)CCOC4=CC=CC=C4)O

Isomeric SMILES

C=CCC(C1=CC=CS1)(C(=O)OC2C[N+]3(CCC2CC3)CCOC4=CC=CC=C4)O

InChI

InChI=1S/C24H30NO4S/c1-2-12-24(27,22-9-6-17-30-22)23(26)29-21-18-25(13-10-19(21)11-14-25)15-16-28-20-7-4-3-5-8-20/h2-9,17,19,21,27H,1,10-16,18H2/q+1