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

Systemtic Name: ethyl 4,6-diethyl-5-ethylsulfanylcarbonyl-1-methyl-2-phenyl-pyridin-1-ium-3-carboxylate iodide Openeye Name: ethyl 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 ethyl ester iodide IUPAC Name: ethyl 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 ethyl ester iodide Formula: C22H28INO3S MolecularWeight: 513.43209

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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)OCC.[I-]

Isomeric SMILES

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

InChI

InChI=1S/C22H28NO3S.HI/c1-6-16-18(22(25)27-9-4)17(7-2)23(5)20(15-13-11-10-12-14-15)19(16)21(24)26-8-3;/h10-14H,6-9H2,1-5H3;1H/q+1;/p-1