[1-[4-(4-fluorophenyl)-4-oxidanylidene-butyl]-1-methyl-pyrrolidin-1-ium-3-yl] 2-oxidanyl-2,2-dithiophen-2-yl-ethanoate

Systemtic Name: [1-[4-(4-fluorophenyl)-4-oxidanylidene-butyl]-1-methyl-pyrrolidin-1-ium-3-yl] 2-oxidanyl-2,2-dithiophen-2-yl-ethanoate Openeye Name: [1-[4-(4-fluorophenyl)-4-oxo-butyl]-1-methyl-pyrrolidin-1-ium-3-yl] 2-hydroxy-2,2-bis(2-thienyl)acetate CAS Name: 2-hydroxy-2,2-dithiophen-2-ylacetic acid [1-[4-(4-fluorophenyl)-4-oxobutyl]-1-methyl-3-pyrrolidin-1-iumyl] ester IUPAC Name: [1-[4-(4-fluorophenyl)-4-oxobutyl]-1-methylpyrrolidin-1-ium-3-yl] 2-hydroxy-2,2-dithiophen-2-ylacetate Traditional Name: 2-hydroxy-2,2-bis(2-thienyl)acetic acid [1-[4-(4-fluorophenyl)-4-keto-butyl]-1-methyl-pyrrolidin-1-ium-3-yl] ester Formula: C25H27FNO4S2+ MolecularWeight: 488.614583

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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)CCCC(=O)C4=CC=C(C=C4)F

Isomeric SMILES

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

InChI

InChI=1S/C25H27FNO4S2/c1-27(13-2-5-21(28)18-8-10-19(26)11-9-18)14-12-20(17-27)31-24(29)25(30,22-6-3-15-32-22)23-7-4-16-33-23/h3-4,6-11,15-16,20,30H,2,5,12-14,17H2,1H3/q+1