ethyl 4,6-diethyl-5-ethylsulfanylcarbonyl-2-phenyl-1-propyl-pyridin-1-ium-3-carboxylate

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

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Descriptors Computed from Structure

Canonical SMILES:

CCC[N+]1=C(C(=C(C(=C1CC)C(=O)SCC)CC)C(=O)OCC)C2=CC=CC=C2

Isomeric SMILES

CCC[N+]1=C(C(=C(C(=C1CC)C(=O)SCC)CC)C(=O)OCC)C2=CC=CC=C2

InChI

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