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

Systemtic Name: propyl 4,6-diethyl-5-ethylsulfanylcarbonyl-1-methyl-2-phenyl-pyridin-1-ium-3-carboxylate iodide Openeye Name: propyl 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 propyl ester iodide IUPAC Name: propyl 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 propyl ester iodide Formula: C23H30INO3S MolecularWeight: 527.45867

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC(=O)C1=C(C(=C([N+](=C1C2=CC=CC=C2)C)CC)C(=O)SCC)CC.[I-]

Isomeric SMILES

CCCOC(=O)C1=C(C(=C([N+](=C1C2=CC=CC=C2)C)CC)C(=O)SCC)CC.[I-]

InChI

InChI=1S/C23H30NO3S.HI/c1-6-15-27-22(25)20-17(7-2)19(23(26)28-9-4)18(8-3)24(5)21(20)16-13-11-10-12-14-16;/h10-14H,6-9,15H2,1-5H3;1H/q+1;/p-1