3,5-dimethyl-1-(octylsulfanylmethyl)pyridin-1-ium chloride

Systemtic Name: 3,5-dimethyl-1-(octylsulfanylmethyl)pyridin-1-ium chloride Openeye Name: 3,5-dimethyl-1-(octylsulfanylmethyl)pyridin-1-ium chloride CAS Name: 3,5-dimethyl-1-[(octylthio)methyl]pyridin-1-ium chloride IUPAC Name: 3,5-dimethyl-1-(octylsulfanylmethyl)pyridin-1-ium chloride Traditional Name: 3,5-dimethyl-1-[(octylthio)methyl]pyridin-1-ium chloride Formula: C16H28ClNS MolecularWeight: 301.91822

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H28NS.ClH/c1-4-5-6-7-8-9-10-18-14-17-12-15(2)11-16(3)13-17;/h11-13H,4-10,14H2,1-3H3;1H/q+1;/p-1