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

Systemtic Name: [1-methyl-1-(3-phenylpropyl)pyrrolidin-1-ium-3-yl] 2-oxidanyl-2,2-dithiophen-2-yl-ethanoate; 2,2,2-tris(fluoranyl)ethanoate Openeye Name: [1-methyl-1-(3-phenylpropyl)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-(3-phenylpropyl)-3-pyrrolidin-1-iumyl] ester; 2,2,2-trifluoroacetate IUPAC Name: [1-methyl-1-(3-phenylpropyl)pyrrolidin-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-(3-phenylpropyl)pyrrolidin-1-ium-3-yl] ester; 2,2,2-trifluoroacetate Formula: C26H28F3NO5S2 MolecularWeight: 555.62943

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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)CCCC4=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)CCCC4=CC=CC=C4.C(=O)(C(F)(F)F)[O-]

InChI

InChI=1S/C24H28NO3S2.C2HF3O2/c1-25(14-5-10-19-8-3-2-4-9-19)15-13-20(18-25)28-23(26)24(27,21-11-6-16-29-21)22-12-7-17-30-22;3-2(4,5)1(6)7/h2-4,6-9,11-12,16-17,20,27H,5,10,13-15,18H2,1H3;(H,6,7)/q+1;/p-1