ethyl 1-ethylsulfanylcarbonyl-2-phenyl-pyridin-1-ium-3-carboxylate iodide

Systemtic Name: ethyl 1-ethylsulfanylcarbonyl-2-phenyl-pyridin-1-ium-3-carboxylate iodide Openeye Name: ethyl 1-ethylsulfanylcarbonyl-2-phenyl-pyridin-1-ium-3-carboxylate iodide CAS Name: 1-[(ethylthio)-oxomethyl]-2-phenyl-3-pyridin-1-iumcarboxylic acid ethyl ester iodide IUPAC Name: ethyl 1-ethylsulfanylcarbonyl-2-phenylpyridin-1-ium-3-carboxylate iodide Traditional Name: 1-(ethylthio)carbonyl-2-phenyl-pyridin-1-ium-3-carboxylic acid ethyl ester iodide Formula: C17H18INO3S MolecularWeight: 443.29919

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C([N+](=CC=C1)C(=O)SCC)C2=CC=CC=C2.[I-]

Isomeric SMILES

CCOC(=O)C1=C([N+](=CC=C1)C(=O)SCC)C2=CC=CC=C2.[I-]

InChI

InChI=1S/C17H18NO3S.HI/c1-3-21-16(19)14-11-8-12-18(17(20)22-4-2)15(14)13-9-6-5-7-10-13;/h5-12H,3-4H2,1-2H3;1H/q+1;/p-1