2-[1-[3-(4-fluoranylphenoxy)propyl]-1-methyl-pyrrolidin-1-ium-3-yl]oxy-2-oxidanylidene-1,1-dithiophen-2-yl-ethanolate

Systemtic Name: 2-[1-[3-(4-fluoranylphenoxy)propyl]-1-methyl-pyrrolidin-1-ium-3-yl]oxy-2-oxidanylidene-1,1-dithiophen-2-yl-ethanolate Openeye Name: 2-[1-[3-(4-fluorophenoxy)propyl]-1-methyl-pyrrolidin-1-ium-3-yl]oxy-2-oxo-1,1-bis(2-thienyl)ethanolate CAS Name: 2-[[1-[3-(4-fluorophenoxy)propyl]-1-methyl-3-pyrrolidin-1-iumyl]oxy]-2-oxo-1,1-dithiophen-2-ylethanolate IUPAC Name: 2-[1-[3-(4-fluorophenoxy)propyl]-1-methylpyrrolidin-1-ium-3-yl]oxy-2-oxo-1,1-dithiophen-2-ylethanolate Traditional Name: 2-[1-[3-(4-fluorophenoxy)propyl]-1-methyl-pyrrolidin-1-ium-3-yl]oxy-2-keto-1,1-bis(2-thienyl)ethanolate Formula: C24H26FNO4S2 MolecularWeight: 475.595943

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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-])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/C24H26FNO4S2/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/h2-3,5-10,15-16,20H,4,11-14,17H2,1H3