propyl 6-ethyl-5-(3-fluoranylpropylsulfanylcarbonyl)-1-methyl-2-phenyl-4-propyl-pyridin-1-ium-3-carboxylate iodide

Systemtic Name: propyl 6-ethyl-5-(3-fluoranylpropylsulfanylcarbonyl)-1-methyl-2-phenyl-4-propyl-pyridin-1-ium-3-carboxylate iodide Openeye Name: propyl 6-ethyl-5-(3-fluoropropylsulfanylcarbonyl)-1-methyl-2-phenyl-4-propyl-pyridin-1-ium-3-carboxylate iodide CAS Name: 6-ethyl-5-[(3-fluoropropylthio)-oxomethyl]-1-methyl-2-phenyl-4-propyl-3-pyridin-1-iumcarboxylic acid propyl ester iodide IUPAC Name: propyl 6-ethyl-5-(3-fluoropropylsulfanylcarbonyl)-1-methyl-2-phenyl-4-propylpyridin-1-ium-3-carboxylate iodide Traditional Name: 6-ethyl-5-(3-fluoropropylthio)carbonyl-1-methyl-2-phenyl-4-propyl-pyridin-1-ium-3-carboxylic acid propyl ester iodide Formula: C25H33FINO3S MolecularWeight: 573.502293

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=C(C(=[N+](C(=C1C(=O)SCCCF)CC)C)C2=CC=CC=C2)C(=O)OCCC.[I-]

Isomeric SMILES

CCCC1=C(C(=[N+](C(=C1C(=O)SCCCF)CC)C)C2=CC=CC=C2)C(=O)OCCC.[I-]

InChI

InChI=1S/C25H33FNO3S.HI/c1-5-12-19-21(25(29)31-17-11-15-26)20(7-3)27(4)23(18-13-9-8-10-14-18)22(19)24(28)30-16-6-2;/h8-10,13-14H,5-7,11-12,15-17H2,1-4H3;1H/q+1;/p-1