ethyl 2-cyclopentyl-4,6-diethyl-5-ethylsulfanylcarbonyl-1-methyl-pyridin-1-ium-3-carboxylate iodide

Systemtic Name: ethyl 2-cyclopentyl-4,6-diethyl-5-ethylsulfanylcarbonyl-1-methyl-pyridin-1-ium-3-carboxylate iodide Openeye Name: ethyl 2-cyclopentyl-4,6-diethyl-5-ethylsulfanylcarbonyl-1-methyl-pyridin-1-ium-3-carboxylate iodide CAS Name: 2-cyclopentyl-4,6-diethyl-5-[(ethylthio)-oxomethyl]-1-methyl-3-pyridin-1-iumcarboxylic acid ethyl ester iodide IUPAC Name: ethyl 2-cyclopentyl-4,6-diethyl-5-ethylsulfanylcarbonyl-1-methylpyridin-1-ium-3-carboxylate iodide Traditional Name: 2-cyclopentyl-4,6-diethyl-5-(ethylthio)carbonyl-1-methyl-pyridin-1-ium-3-carboxylic acid ethyl ester iodide Formula: C21H32INO3S MolecularWeight: 505.45315

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C(=[N+](C(=C1C(=O)SCC)CC)C)C2CCCC2)C(=O)OCC.[I-]

Isomeric SMILES

CCC1=C(C(=[N+](C(=C1C(=O)SCC)CC)C)C2CCCC2)C(=O)OCC.[I-]

InChI

InChI=1S/C21H32NO3S.HI/c1-6-15-17(21(24)26-9-4)16(7-2)22(5)19(14-12-10-11-13-14)18(15)20(23)25-8-3;/h14H,6-13H2,1-5H3;1H/q+1;/p-1