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

Systemtic Name: (1-phenethyl-1-azoniabicyclo[2.2.2]octan-2-yl) 2-(furan-2-yl)-2-oxidanyl-2-thiophen-2-yl-ethanoate Openeye Name: (1-phenethylquinuclidin-1-ium-2-yl) 2-(2-furyl)-2-hydroxy-2-(2-thienyl)acetate CAS Name: 2-(2-furanyl)-2-hydroxy-2-thiophen-2-ylacetic acid (1-phenethyl-1-azoniabicyclo[2.2.2]octan-2-yl) ester IUPAC Name: (1-phenethyl-1-azoniabicyclo[2.2.2]octan-2-yl) 2-(furan-2-yl)-2-hydroxy-2-thiophen-2-ylacetate Traditional Name: 2-(2-furyl)-2-hydroxy-2-(2-thienyl)acetic acid (1-phenethylquinuclidin-1-ium-2-yl) ester Formula: C25H28NO4S+ MolecularWeight: 438.55912

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Descriptors Computed from Structure

Canonical SMILES:

C1C[N+]2(CCC1CC2OC(=O)C(C3=CC=CO3)(C4=CC=CS4)O)CCC5=CC=CC=C5

Isomeric SMILES

C1C[N+]2(CCC1CC2OC(=O)C(C3=CC=CO3)(C4=CC=CS4)O)CCC5=CC=CC=C5

InChI

InChI=1S/C25H28NO4S/c27-24(25(28,21-8-4-16-29-21)22-9-5-17-31-22)30-23-18-20-11-14-26(23,15-12-20)13-10-19-6-2-1-3-7-19/h1-9,16-17,20,23,28H,10-15,18H2/q+1