3-methyl-1-(octylsulfanylmethyl)pyridin-1-ium chloride

Systemtic Name: 3-methyl-1-(octylsulfanylmethyl)pyridin-1-ium chloride Openeye Name: 3-methyl-1-(octylsulfanylmethyl)pyridin-1-ium chloride CAS Name: 3-methyl-1-[(octylthio)methyl]pyridin-1-ium chloride IUPAC Name: 3-methyl-1-(octylsulfanylmethyl)pyridin-1-ium chloride Traditional Name: 3-methyl-1-[(octylthio)methyl]pyridin-1-ium chloride Formula: C15H26ClNS MolecularWeight: 287.89164

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCSC[N+]1=CC=CC(=C1)C.[Cl-]

Isomeric SMILES

CCCCCCCCSC[N+]1=CC=CC(=C1)C.[Cl-]

InChI

InChI=1S/C15H26NS.ClH/c1-3-4-5-6-7-8-12-17-14-16-11-9-10-15(2)13-16;/h9-11,13H,3-8,12,14H2,1-2H3;1H/q+1;/p-1