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

Systemtic Name: propyl 4,6-diethyl-5-ethylsulfanylcarbonyl-1-methyl-2-phenyl-pyridin-1-ium-3-carboxylate Openeye Name: propyl 4,6-diethyl-5-ethylsulfanylcarbonyl-1-methyl-2-phenyl-pyridin-1-ium-3-carboxylate CAS Name: 4,6-diethyl-5-[(ethylthio)-oxomethyl]-1-methyl-2-phenyl-3-pyridin-1-iumcarboxylic acid propyl ester IUPAC Name: propyl 4,6-diethyl-5-ethylsulfanylcarbonyl-1-methyl-2-phenylpyridin-1-ium-3-carboxylate Traditional Name: 4,6-diethyl-5-(ethylthio)carbonyl-1-methyl-2-phenyl-pyridin-1-ium-3-carboxylic acid propyl ester Formula: C23H30NO3S+ MolecularWeight: 400.5542

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC(=O)C1=C(C(=C([N+](=C1C2=CC=CC=C2)C)CC)C(=O)SCC)CC

Isomeric SMILES

CCCOC(=O)C1=C(C(=C([N+](=C1C2=CC=CC=C2)C)CC)C(=O)SCC)CC

InChI

InChI=1S/C23H30NO3S/c1-6-15-27-22(25)20-17(7-2)19(23(26)28-9-4)18(8-3)24(5)21(20)16-13-11-10-12-14-16/h10-14H,6-9,15H2,1-5H3/q+1