1-methyl-4-[10-(1-methylquinolin-1-ium-4-yl)sulfanyldecylsulfanyl]quinolin-1-ium diiodide

Systemtic Name: 1-methyl-4-[10-(1-methylquinolin-1-ium-4-yl)sulfanyldecylsulfanyl]quinolin-1-ium diiodide Openeye Name: 1-methyl-4-[10-(1-methylquinolin-1-ium-4-yl)sulfanyldecylsulfanyl]quinolin-1-ium diiodide CAS Name: 1-methyl-4-[10-[(1-methyl-4-quinolin-1-iumyl)thio]decylthio]quinolin-1-ium diiodide IUPAC Name: 1-methyl-4-[10-(1-methylquinolin-1-ium-4-yl)sulfanyldecylsulfanyl]quinolin-1-ium diiodide Traditional Name: 1-methyl-4-[10-[(1-methylquinolin-1-ium-4-yl)thio]decylthio]quinolin-1-ium diiodide Formula: C30H38I2N2S2 MolecularWeight: 744.57506

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1=CC=C(C2=CC=CC=C21)SCCCCCCCCCCSC3=CC=[N+](C4=CC=CC=C43)C.[I-].[I-]

Isomeric SMILES

C[N+]1=CC=C(C2=CC=CC=C21)SCCCCCCCCCCSC3=CC=[N+](C4=CC=CC=C43)C.[I-].[I-]

InChI

InChI=1S/C30H38N2S2.2HI/c1-31-21-19-29(25-15-9-11-17-27(25)31)33-23-13-7-5-3-4-6-8-14-24-34-30-20-22-32(2)28-18-12-10-16-26(28)30;;/h9-12,15-22H,3-8,13-14,23-24H2,1-2H3;2*1H/q+2;;/p-2