5,7-dimethoxy-3-(4-methoxyphenyl)-1-methyl-2-methylsulfanyl-quinolin-1-ium iodide

Systemtic Name: 5,7-dimethoxy-3-(4-methoxyphenyl)-1-methyl-2-methylsulfanyl-quinolin-1-ium iodide Openeye Name: 5,7-dimethoxy-3-(4-methoxyphenyl)-1-methyl-2-methylsulfanyl-quinolin-1-ium iodide CAS Name: 5,7-dimethoxy-3-(4-methoxyphenyl)-1-methyl-2-(methylthio)quinolin-1-ium iodide IUPAC Name: 5,7-dimethoxy-3-(4-methoxyphenyl)-1-methyl-2-methylsulfanylquinolin-1-ium iodide Traditional Name: 5,7-dimethoxy-3-(4-methoxyphenyl)-1-methyl-2-(methylthio)quinolin-1-ium iodide Formula: C20H22INO3S MolecularWeight: 483.36305

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1=C2C=C(C=C(C2=CC(=C1SC)C3=CC=C(C=C3)OC)OC)OC.[I-]

Isomeric SMILES

C[N+]1=C2C=C(C=C(C2=CC(=C1SC)C3=CC=C(C=C3)OC)OC)OC.[I-]

InChI

InChI=1S/C20H22NO3S.HI/c1-21-18-10-15(23-3)11-19(24-4)17(18)12-16(20(21)25-5)13-6-8-14(22-2)9-7-13;/h6-12H,1-5H3;1H/q+1;/p-1