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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C(=[N+](C(=C1C(=O)SCC)CC)CC)C2=CC=CC=C2)C(=O)OCC

Isomeric SMILES

CCC1=C(C(=[N+](C(=C1C(=O)SCC)CC)CC)C2=CC=CC=C2)C(=O)OCC

InChI

InChI=1S/C23H30NO3S/c1-6-17-19(23(26)28-10-5)18(7-2)24(8-3)21(16-14-12-11-13-15-16)20(17)22(25)27-9-4/h11-15H,6-10H2,1-5H3/q+1