2-[2,2-bis(hexylsulfanyl)ethenyl]-1-methyl-pyridin-1-ium iodide

Systemtic Name: 2-[2,2-bis(hexylsulfanyl)ethenyl]-1-methyl-pyridin-1-ium iodide Openeye Name: 2-[2,2-bis(hexylsulfanyl)vinyl]-1-methyl-pyridin-1-ium iodide CAS Name: 2-[2,2-bis(hexylthio)ethenyl]-1-methylpyridin-1-ium iodide IUPAC Name: 2-[2,2-bis(hexylsulfanyl)ethenyl]-1-methylpyridin-1-ium iodide Traditional Name: 2-[2,2-bis(hexylthio)vinyl]-1-methyl-pyridin-1-ium iodide Formula: C20H34INS2 MolecularWeight: 479.52513

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCSC(=CC1=CC=CC=[N+]1C)SCCCCCC.[I-]

Isomeric SMILES

CCCCCCSC(=CC1=CC=CC=[N+]1C)SCCCCCC.[I-]

InChI

InChI=1S/C20H34NS2.HI/c1-4-6-8-12-16-22-20(23-17-13-9-7-5-2)18-19-14-10-11-15-21(19)3;/h10-11,14-15,18H,4-9,12-13,16-17H2,1-3H3;1H/q+1;/p-1