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

Systemtic Name: [1-(4-phenylbutyl)-1-azoniabicyclo[2.2.2]octan-4-yl] 2-oxidanyl-2-thiophen-2-yl-2-thiophen-3-yl-ethanoate Openeye Name: [1-(4-phenylbutyl)quinuclidin-1-ium-4-yl] 2-hydroxy-2-(2-thienyl)-2-(3-thienyl)acetate CAS Name: 2-hydroxy-2-thiophen-2-yl-2-(3-thiophenyl)acetic acid [1-(4-phenylbutyl)-1-azoniabicyclo[2.2.2]octan-4-yl] ester IUPAC Name: [1-(4-phenylbutyl)-1-azoniabicyclo[2.2.2]octan-4-yl] 2-hydroxy-2-thiophen-2-yl-2-thiophen-3-ylacetate Traditional Name: 2-hydroxy-2-(2-thienyl)-2-(3-thienyl)acetic acid [1-(4-phenylbutyl)quinuclidin-1-ium-4-yl] ester Formula: C27H32NO3S2+ MolecularWeight: 482.67788

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Descriptors Computed from Structure

Canonical SMILES:

C1C[N+]2(CCC1(CC2)OC(=O)C(C3=CSC=C3)(C4=CC=CS4)O)CCCCC5=CC=CC=C5

Isomeric SMILES

C1C[N+]2(CCC1(CC2)OC(=O)C(C3=CSC=C3)(C4=CC=CS4)O)CCCCC5=CC=CC=C5

InChI

InChI=1S/C27H32NO3S2/c29-25(27(30,23-11-20-32-21-23)24-10-6-19-33-24)31-26-12-16-28(17-13-26,18-14-26)15-5-4-9-22-7-2-1-3-8-22/h1-3,6-8,10-11,19-21,30H,4-5,9,12-18H2/q+1