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

Systemtic Name: (1-phenethyl-1-azoniabicyclo[2.2.2]octan-4-yl) 2-oxidanyl-2-thiophen-2-yl-2-thiophen-3-yl-ethanoate Openeye Name: (1-phenethylquinuclidin-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-phenethyl-1-azoniabicyclo[2.2.2]octan-4-yl) ester IUPAC Name: (1-phenethyl-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-phenethylquinuclidin-1-ium-4-yl) ester Formula: C25H28NO3S2+ MolecularWeight: 454.62472

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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)CCC5=CC=CC=C5

Isomeric SMILES

C1C[N+]2(CCC1(CC2)OC(=O)C(C3=CSC=C3)(C4=CC=CS4)O)CCC5=CC=CC=C5

InChI

InChI=1S/C25H28NO3S2/c27-23(25(28,21-9-18-30-19-21)22-7-4-17-31-22)29-24-10-14-26(15-11-24,16-12-24)13-8-20-5-2-1-3-6-20/h1-7,9,17-19,28H,8,10-16H2/q+1