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

Systemtic Name: ethyl 6-butyl-4-ethyl-5-ethylsulfanylcarbonyl-1-methyl-2-phenyl-pyridin-1-ium-3-carboxylate iodide Openeye Name: ethyl 6-butyl-4-ethyl-5-ethylsulfanylcarbonyl-1-methyl-2-phenyl-pyridin-1-ium-3-carboxylate iodide CAS Name: 6-butyl-4-ethyl-5-[(ethylthio)-oxomethyl]-1-methyl-2-phenyl-3-pyridin-1-iumcarboxylic acid ethyl ester iodide IUPAC Name: ethyl 6-butyl-4-ethyl-5-ethylsulfanylcarbonyl-1-methyl-2-phenylpyridin-1-ium-3-carboxylate iodide Traditional Name: 6-butyl-4-ethyl-5-(ethylthio)carbonyl-1-methyl-2-phenyl-pyridin-1-ium-3-carboxylic acid ethyl ester iodide Formula: C24H32INO3S MolecularWeight: 541.48525

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=C(C(=C(C(=[N+]1C)C2=CC=CC=C2)C(=O)OCC)CC)C(=O)SCC.[I-]

Isomeric SMILES

CCCCC1=C(C(=C(C(=[N+]1C)C2=CC=CC=C2)C(=O)OCC)CC)C(=O)SCC.[I-]

InChI

InChI=1S/C24H32NO3S.HI/c1-6-10-16-19-20(24(27)29-9-4)18(7-2)21(23(26)28-8-3)22(25(19)5)17-14-12-11-13-15-17;/h11-15H,6-10,16H2,1-5H3;1H/q+1;/p-1