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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=C(C(=[N+](C(=C1C(=O)SCC)CC)C)C2=CC=CC=C2)C(=O)OCCC.[I-]

Isomeric SMILES

CCCC1=C(C(=[N+](C(=C1C(=O)SCC)CC)C)C2=CC=CC=C2)C(=O)OCCC.[I-]

InChI

InChI=1S/C24H32NO3S.HI/c1-6-13-18-20(24(27)29-9-4)19(8-3)25(5)22(17-14-11-10-12-15-17)21(18)23(26)28-16-7-2;/h10-12,14-15H,6-9,13,16H2,1-5H3;1H/q+1;/p-1