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

Systemtic Name: ethyl 6-butyl-4-ethyl-5-ethylsulfanylcarbonyl-1-methyl-2-phenyl-pyridin-1-ium-3-carboxylate Openeye Name: ethyl 6-butyl-4-ethyl-5-ethylsulfanylcarbonyl-1-methyl-2-phenyl-pyridin-1-ium-3-carboxylate CAS Name: 6-butyl-4-ethyl-5-[(ethylthio)-oxomethyl]-1-methyl-2-phenyl-3-pyridin-1-iumcarboxylic acid ethyl ester IUPAC Name: ethyl 6-butyl-4-ethyl-5-ethylsulfanylcarbonyl-1-methyl-2-phenylpyridin-1-ium-3-carboxylate Traditional Name: 6-butyl-4-ethyl-5-(ethylthio)carbonyl-1-methyl-2-phenyl-pyridin-1-ium-3-carboxylic acid ethyl ester Formula: C24H32NO3S+ MolecularWeight: 414.58078

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H32NO3S/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/q+1