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

Systemtic Name: ethyl 4-ethyl-5-ethylsulfanylcarbonyl-1,6-dimethyl-2-phenyl-pyridin-1-ium-3-carboxylate iodide Openeye Name: ethyl 4-ethyl-5-ethylsulfanylcarbonyl-1,6-dimethyl-2-phenyl-pyridin-1-ium-3-carboxylate iodide CAS Name: 4-ethyl-5-[(ethylthio)-oxomethyl]-1,6-dimethyl-2-phenyl-3-pyridin-1-iumcarboxylic acid ethyl ester iodide IUPAC Name: ethyl 4-ethyl-5-ethylsulfanylcarbonyl-1,6-dimethyl-2-phenylpyridin-1-ium-3-carboxylate iodide Traditional Name: 4-ethyl-5-(ethylthio)carbonyl-1,6-dimethyl-2-phenyl-pyridin-1-ium-3-carboxylic acid ethyl ester iodide Formula: C21H26INO3S MolecularWeight: 499.40551

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H26NO3S.HI/c1-6-16-17(21(24)26-8-3)14(4)22(5)19(15-12-10-9-11-13-15)18(16)20(23)25-7-2;/h9-13H,6-8H2,1-5H3;1H/q+1;/p-1