[1-(4-oxidanylidene-4-phenyl-butyl)-1-azoniabicyclo[2.2.2]octan-2-yl] 2-oxidanyl-2,2-dithiophen-2-yl-ethanoate

Systemtic Name: [1-(4-oxidanylidene-4-phenyl-butyl)-1-azoniabicyclo[2.2.2]octan-2-yl] 2-oxidanyl-2,2-dithiophen-2-yl-ethanoate Openeye Name: [1-(4-oxo-4-phenyl-butyl)quinuclidin-1-ium-2-yl] 2-hydroxy-2,2-bis(2-thienyl)acetate CAS Name: 2-hydroxy-2,2-dithiophen-2-ylacetic acid [1-(4-oxo-4-phenylbutyl)-1-azoniabicyclo[2.2.2]octan-2-yl] ester IUPAC Name: [1-(4-oxo-4-phenylbutyl)-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-(4-keto-4-phenyl-butyl)quinuclidin-1-ium-2-yl] ester Formula: C27H30NO4S2+ MolecularWeight: 496.6614

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Descriptors Computed from Structure

Canonical SMILES:

C1C[N+]2(CCC1CC2OC(=O)C(C3=CC=CS3)(C4=CC=CS4)O)CCCC(=O)C5=CC=CC=C5

Isomeric SMILES

C1C[N+]2(CCC1CC2OC(=O)C(C3=CC=CS3)(C4=CC=CS4)O)CCCC(=O)C5=CC=CC=C5

InChI

InChI=1S/C27H30NO4S2/c29-22(21-7-2-1-3-8-21)9-4-14-28-15-12-20(13-16-28)19-25(28)32-26(30)27(31,23-10-5-17-33-23)24-11-6-18-34-24/h1-3,5-8,10-11,17-18,20,25,31H,4,9,12-16,19H2/q+1