(1-methyl-1-phenethyl-pyrrolidin-1-ium-3-yl) 2-oxidanyl-2,2-dithiophen-2-yl-ethanoate; 2,2,2-tris(fluoranyl)ethanoate

Systemtic Name: (1-methyl-1-phenethyl-pyrrolidin-1-ium-3-yl) 2-oxidanyl-2,2-dithiophen-2-yl-ethanoate; 2,2,2-tris(fluoranyl)ethanoate Openeye Name: (1-methyl-1-phenethyl-pyrrolidin-1-ium-3-yl) 2-hydroxy-2,2-bis(2-thienyl)acetate; 2,2,2-trifluoroacetate CAS Name: 2-hydroxy-2,2-dithiophen-2-ylacetic acid (1-methyl-1-phenethyl-3-pyrrolidin-1-iumyl) ester; 2,2,2-trifluoroacetate IUPAC Name: (1-methyl-1-phenethylpyrrolidin-1-ium-3-yl) 2-hydroxy-2,2-dithiophen-2-ylacetate; 2,2,2-trifluoroacetate Traditional Name: 2-hydroxy-2,2-bis(2-thienyl)acetic acid (1-methyl-1-phenethyl-pyrrolidin-1-ium-3-yl) ester; 2,2,2-trifluoroacetate Formula: C25H26F3NO5S2 MolecularWeight: 541.60285

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1(CCC(C1)OC(=O)C(C2=CC=CS2)(C3=CC=CS3)O)CCC4=CC=CC=C4.C(=O)(C(F)(F)F)[O-]

Isomeric SMILES

C[N+]1(CCC(C1)OC(=O)C(C2=CC=CS2)(C3=CC=CS3)O)CCC4=CC=CC=C4.C(=O)(C(F)(F)F)[O-]

InChI

InChI=1S/C23H26NO3S2.C2HF3O2/c1-24(13-11-18-7-3-2-4-8-18)14-12-19(17-24)27-22(25)23(26,20-9-5-15-28-20)21-10-6-16-29-21;3-2(4,5)1(6)7/h2-10,15-16,19,26H,11-14,17H2,1H3;(H,6,7)/q+1;/p-1