ethyl 6-cyclobutyl-4-ethyl-5-ethylsulfanylcarbonyl-1-methyl-2-phenyl-pyridin-1-ium-3-carboxylate iodide

Systemtic Name: ethyl 6-cyclobutyl-4-ethyl-5-ethylsulfanylcarbonyl-1-methyl-2-phenyl-pyridin-1-ium-3-carboxylate iodide Openeye Name: ethyl 6-cyclobutyl-4-ethyl-5-ethylsulfanylcarbonyl-1-methyl-2-phenyl-pyridin-1-ium-3-carboxylate iodide CAS Name: 6-cyclobutyl-4-ethyl-5-[(ethylthio)-oxomethyl]-1-methyl-2-phenyl-3-pyridin-1-iumcarboxylic acid ethyl ester iodide IUPAC Name: ethyl 6-cyclobutyl-4-ethyl-5-ethylsulfanylcarbonyl-1-methyl-2-phenylpyridin-1-ium-3-carboxylate iodide Traditional Name: 6-cyclobutyl-4-ethyl-5-(ethylthio)carbonyl-1-methyl-2-phenyl-pyridin-1-ium-3-carboxylic acid ethyl ester iodide Formula: C24H30INO3S MolecularWeight: 539.46937

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C(=[N+](C(=C1C(=O)SCC)C2CCC2)C)C3=CC=CC=C3)C(=O)OCC.[I-]

Isomeric SMILES

CCC1=C(C(=[N+](C(=C1C(=O)SCC)C2CCC2)C)C3=CC=CC=C3)C(=O)OCC.[I-]

InChI

InChI=1S/C24H30NO3S.HI/c1-5-18-19(23(26)28-6-2)21(16-12-9-8-10-13-16)25(4)22(17-14-11-15-17)20(18)24(27)29-7-3;/h8-10,12-13,17H,5-7,11,14-15H2,1-4H3;1H/q+1;/p-1