[1-(3-thiophen-2-ylpropyl)-1-azoniabicyclo[2.2.2]octan-2-yl] 2-oxidanyl-2,2-dithiophen-2-yl-ethanoate

Systemtic Name: [1-(3-thiophen-2-ylpropyl)-1-azoniabicyclo[2.2.2]octan-2-yl] 2-oxidanyl-2,2-dithiophen-2-yl-ethanoate Openeye Name: [1-[3-(2-thienyl)propyl]quinuclidin-1-ium-2-yl] 2-hydroxy-2,2-bis(2-thienyl)acetate CAS Name: 2-hydroxy-2,2-dithiophen-2-ylacetic acid [1-(3-thiophen-2-ylpropyl)-1-azoniabicyclo[2.2.2]octan-2-yl] ester IUPAC Name: [1-(3-thiophen-2-ylpropyl)-1-azoniabicyclo[2.2.2]octan-2-yl] 2-hydroxy-2,2-dithiophen-2-ylacetate Traditional Name: 2-hydroxy-2,2-bis(2-thienyl)acetic acid [1-[3-(2-thienyl)propyl]quinuclidin-1-ium-2-yl] ester Formula: C24H28NO3S3+ MolecularWeight: 474.67902

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Descriptors Computed from Structure

Canonical SMILES:

C1C[N+]2(CCC1CC2OC(=O)C(C3=CC=CS3)(C4=CC=CS4)O)CCCC5=CC=CS5

Isomeric SMILES

C1C[N+]2(CCC1CC2OC(=O)C(C3=CC=CS3)(C4=CC=CS4)O)CCCC5=CC=CS5

InChI

InChI=1S/C24H28NO3S3/c26-23(24(27,20-7-3-15-30-20)21-8-4-16-31-21)28-22-17-18-9-12-25(22,13-10-18)11-1-5-19-6-2-14-29-19/h2-4,6-8,14-16,18,22,27H,1,5,9-13,17H2/q+1