[1-(3-thiophen-3-ylpropyl)-1-azoniabicyclo[2.2.2]octan-4-yl] 2-oxidanyl-2,2-dithiophen-2-yl-ethanoate

Systemtic Name: [1-(3-thiophen-3-ylpropyl)-1-azoniabicyclo[2.2.2]octan-4-yl] 2-oxidanyl-2,2-dithiophen-2-yl-ethanoate Openeye Name: [1-[3-(3-thienyl)propyl]quinuclidin-1-ium-4-yl] 2-hydroxy-2,2-bis(2-thienyl)acetate CAS Name: 2-hydroxy-2,2-dithiophen-2-ylacetic acid [1-[3-(3-thiophenyl)propyl]-1-azoniabicyclo[2.2.2]octan-4-yl] ester IUPAC Name: [1-(3-thiophen-3-ylpropyl)-1-azoniabicyclo[2.2.2]octan-4-yl] 2-hydroxy-2,2-dithiophen-2-ylacetate Traditional Name: 2-hydroxy-2,2-bis(2-thienyl)acetic acid [1-[3-(3-thienyl)propyl]quinuclidin-1-ium-4-yl] ester Formula: C24H28NO3S3+ MolecularWeight: 474.67902

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Descriptors Computed from Structure

Canonical SMILES:

C1C[N+]2(CCC1(CC2)OC(=O)C(C3=CC=CS3)(C4=CC=CS4)O)CCCC5=CSC=C5

Isomeric SMILES

C1C[N+]2(CCC1(CC2)OC(=O)C(C3=CC=CS3)(C4=CC=CS4)O)CCCC5=CSC=C5

InChI

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