2-fluoranylethyl 4,6-diethyl-5-ethylsulfanylcarbonyl-1-methyl-2-phenyl-pyridin-1-ium-3-carboxylate iodide

Systemtic Name: 2-fluoranylethyl 4,6-diethyl-5-ethylsulfanylcarbonyl-1-methyl-2-phenyl-pyridin-1-ium-3-carboxylate iodide Openeye Name: 2-fluoroethyl 4,6-diethyl-5-ethylsulfanylcarbonyl-1-methyl-2-phenyl-pyridin-1-ium-3-carboxylate iodide CAS Name: 4,6-diethyl-5-[(ethylthio)-oxomethyl]-1-methyl-2-phenyl-3-pyridin-1-iumcarboxylic acid 2-fluoroethyl ester iodide IUPAC Name: 2-fluoroethyl 4,6-diethyl-5-ethylsulfanylcarbonyl-1-methyl-2-phenylpyridin-1-ium-3-carboxylate iodide Traditional Name: 4,6-diethyl-5-(ethylthio)carbonyl-1-methyl-2-phenyl-pyridin-1-ium-3-carboxylic acid 2-fluoroethyl ester iodide Formula: C22H27FINO3S MolecularWeight: 531.422553

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C(=[N+](C(=C1C(=O)SCC)CC)C)C2=CC=CC=C2)C(=O)OCCF.[I-]

Isomeric SMILES

CCC1=C(C(=[N+](C(=C1C(=O)SCC)CC)C)C2=CC=CC=C2)C(=O)OCCF.[I-]

InChI

InChI=1S/C22H27FNO3S.HI/c1-5-16-18(22(26)28-7-3)17(6-2)24(4)20(15-11-9-8-10-12-15)19(16)21(25)27-14-13-23;/h8-12H,5-7,13-14H2,1-4H3;1H/q+1;/p-1