[1-[3-(4-fluoranylphenoxy)propyl]-1-methyl-pyrrolidin-1-ium-3-yl] 2-oxidanyl-2,2-dithiophen-2-yl-ethanoate

Systemtic Name: [1-[3-(4-fluoranylphenoxy)propyl]-1-methyl-pyrrolidin-1-ium-3-yl] 2-oxidanyl-2,2-dithiophen-2-yl-ethanoate Openeye Name: [1-[3-(4-fluorophenoxy)propyl]-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-[3-(4-fluorophenoxy)propyl]-1-methyl-3-pyrrolidin-1-iumyl] ester IUPAC Name: [1-[3-(4-fluorophenoxy)propyl]-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-[3-(4-fluorophenoxy)propyl]-1-methyl-pyrrolidin-1-ium-3-yl] ester Formula: C24H27FNO4S2+ MolecularWeight: 476.603883

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C[N+]1(CCC(C1)OC(=O)C(C2=CC=CS2)(C3=CC=CS3)O)CCCOC4=CC=C(C=C4)F

Isomeric SMILES

C[N+]1(CCC(C1)OC(=O)C(C2=CC=CS2)(C3=CC=CS3)O)CCCOC4=CC=C(C=C4)F

InChI

InChI=1S/C24H27FNO4S2/c1-26(12-4-14-29-19-9-7-18(25)8-10-19)13-11-20(17-26)30-23(27)24(28,21-5-2-15-31-21)22-6-3-16-32-22/h2-3,5-10,15-16,20,28H,4,11-14,17H2,1H3/q+1