propyl 5-ethylsulfanylcarbonyl-1-methyl-2-phenyl-6-(2-phenylmethoxyethyl)-4-propyl-pyridin-1-ium-3-carboxylate iodide

Systemtic Name: propyl 5-ethylsulfanylcarbonyl-1-methyl-2-phenyl-6-(2-phenylmethoxyethyl)-4-propyl-pyridin-1-ium-3-carboxylate iodide Openeye Name: propyl 6-(2-benzyloxyethyl)-5-ethylsulfanylcarbonyl-1-methyl-2-phenyl-4-propyl-pyridin-1-ium-3-carboxylate iodide CAS Name: 5-[(ethylthio)-oxomethyl]-1-methyl-2-phenyl-6-(2-phenylmethoxyethyl)-4-propyl-3-pyridin-1-iumcarboxylic acid propyl ester iodide IUPAC Name: propyl 5-ethylsulfanylcarbonyl-1-methyl-2-phenyl-6-(2-phenylmethoxyethyl)-4-propylpyridin-1-ium-3-carboxylate iodide Traditional Name: 6-(2-benzoxyethyl)-5-(ethylthio)carbonyl-1-methyl-2-phenyl-4-propyl-pyridin-1-ium-3-carboxylic acid propyl ester iodide Formula: C31H38INO4S MolecularWeight: 647.60719

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=C(C(=[N+](C(=C1C(=O)SCC)CCOCC2=CC=CC=C2)C)C3=CC=CC=C3)C(=O)OCCC.[I-]

Isomeric SMILES

CCCC1=C(C(=[N+](C(=C1C(=O)SCC)CCOCC2=CC=CC=C2)C)C3=CC=CC=C3)C(=O)OCCC.[I-]

InChI

InChI=1S/C31H38NO4S.HI/c1-5-14-25-27(31(34)37-7-3)26(19-21-35-22-23-15-10-8-11-16-23)32(4)29(24-17-12-9-13-18-24)28(25)30(33)36-20-6-2;/h8-13,15-18H,5-7,14,19-22H2,1-4H3;1H/q+1;/p-1