ethyl 5-cyclopentyl-2,4-diethyl-3-ethylsulfanylcarbonyl-1-methyl-2H-pyridin-1-ium-5-carboxylate iodide

Systemtic Name: ethyl 5-cyclopentyl-2,4-diethyl-3-ethylsulfanylcarbonyl-1-methyl-2H-pyridin-1-ium-5-carboxylate iodide Openeye Name: ethyl 5-cyclopentyl-2,4-diethyl-3-ethylsulfanylcarbonyl-1-methyl-2H-pyridin-1-ium-5-carboxylate iodide CAS Name: 5-cyclopentyl-2,4-diethyl-3-[(ethylthio)-oxomethyl]-1-methyl-2H-pyridin-1-ium-5-carboxylic acid ethyl ester iodide IUPAC Name: ethyl 5-cyclopentyl-2,4-diethyl-3-ethylsulfanylcarbonyl-1-methyl-2H-pyridin-1-ium-5-carboxylate iodide Traditional Name: 5-cyclopentyl-2,4-diethyl-3-(ethylthio)carbonyl-1-methyl-2H-pyridin-1-ium-5-carboxylic acid ethyl ester iodide Formula: C21H34INO3S MolecularWeight: 507.46903

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1C(=C(C(C=[N+]1C)(C2CCCC2)C(=O)OCC)CC)C(=O)SCC.[I-]

Isomeric SMILES

CCC1C(=C(C(C=[N+]1C)(C2CCCC2)C(=O)OCC)CC)C(=O)SCC.[I-]

InChI

InChI=1S/C21H34NO3S.HI/c1-6-16-18(19(23)26-9-4)17(7-2)22(5)14-21(16,20(24)25-8-3)15-12-10-11-13-15;/h14-15,17H,6-13H2,1-5H3;1H/q+1;/p-1