2-[(1-methylpyridin-1-ium-2-yl)sulfanylmethyl]quinoline chloride

Systemtic Name: 2-[(1-methylpyridin-1-ium-2-yl)sulfanylmethyl]quinoline chloride Openeye Name: 2-[(1-methylpyridin-1-ium-2-yl)sulfanylmethyl]quinoline chloride CAS Name: 2-[[(1-methyl-2-pyridin-1-iumyl)thio]methyl]quinoline chloride IUPAC Name: 2-[(1-methylpyridin-1-ium-2-yl)sulfanylmethyl]quinoline chloride Traditional Name: 2-[[(1-methylpyridin-1-ium-2-yl)thio]methyl]quinoline chloride Formula: C16H15ClN2S MolecularWeight: 302.8217

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1=CC=CC=C1SCC2=NC3=CC=CC=C3C=C2.[Cl-]

Isomeric SMILES

C[N+]1=CC=CC=C1SCC2=NC3=CC=CC=C3C=C2.[Cl-]

InChI

InChI=1S/C16H15N2S.ClH/c1-18-11-5-4-8-16(18)19-12-14-10-9-13-6-2-3-7-15(13)17-14;/h2-11H,12H2,1H3;1H/q+1;/p-1