propyl 4-(2-ethanoylsulfanylethyl)-6-ethyl-5-ethylsulfanylcarbonyl-1-methyl-2-phenyl-pyridin-1-ium-3-carboxylate iodide

Systemtic Name: propyl 4-(2-ethanoylsulfanylethyl)-6-ethyl-5-ethylsulfanylcarbonyl-1-methyl-2-phenyl-pyridin-1-ium-3-carboxylate iodide Openeye Name: propyl 4-(2-acetylsulfanylethyl)-6-ethyl-5-ethylsulfanylcarbonyl-1-methyl-2-phenyl-pyridin-1-ium-3-carboxylate iodide CAS Name: 4-[2-(acetylthio)ethyl]-6-ethyl-5-[(ethylthio)-oxomethyl]-1-methyl-2-phenyl-3-pyridin-1-iumcarboxylic acid propyl ester iodide IUPAC Name: propyl 4-(2-acetylsulfanylethyl)-6-ethyl-5-ethylsulfanylcarbonyl-1-methyl-2-phenylpyridin-1-ium-3-carboxylate iodide Traditional Name: 4-[2-(acetylthio)ethyl]-6-ethyl-5-(ethylthio)carbonyl-1-methyl-2-phenyl-pyridin-1-ium-3-carboxylic acid propyl ester iodide Formula: C25H32INO4S2 MolecularWeight: 601.56035

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H32NO4S2.HI/c1-6-15-30-24(28)22-19(14-16-32-17(4)27)21(25(29)31-8-3)20(7-2)26(5)23(22)18-12-10-9-11-13-18;/h9-13H,6-8,14-16H2,1-5H3;1H/q+1;/p-1