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

Systemtic Name: 2-[2,2-bis(butylsulfanyl)ethenyl]-1-methyl-pyridin-1-ium iodide Openeye Name: 2-[2,2-bis(butylsulfanyl)vinyl]-1-methyl-pyridin-1-ium iodide CAS Name: 2-[2,2-bis(butylthio)ethenyl]-1-methylpyridin-1-ium iodide IUPAC Name: 2-[2,2-bis(butylsulfanyl)ethenyl]-1-methylpyridin-1-ium iodide Traditional Name: 2-[2,2-bis(butylthio)vinyl]-1-methyl-pyridin-1-ium iodide Formula: C16H26INS2 MolecularWeight: 423.41881

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Descriptors Computed from Structure

Canonical SMILES:

CCCCSC(=CC1=CC=CC=[N+]1C)SCCCC.[I-]

Isomeric SMILES

CCCCSC(=CC1=CC=CC=[N+]1C)SCCCC.[I-]

InChI

InChI=1S/C16H26NS2.HI/c1-4-6-12-18-16(19-13-7-5-2)14-15-10-8-9-11-17(15)3;/h8-11,14H,4-7,12-13H2,1-3H3;1H/q+1;/p-1