1-methyl-2-(1-piperidin-1-ylethylsulfanyl)pyridin-1-ium chloride

Systemtic Name: 1-methyl-2-(1-piperidin-1-ylethylsulfanyl)pyridin-1-ium chloride Openeye Name: 1-methyl-2-[1-(1-piperidyl)ethylsulfanyl]pyridin-1-ium chloride CAS Name: 1-methyl-2-[1-(1-piperidinyl)ethylthio]pyridin-1-ium chloride IUPAC Name: 1-methyl-2-(1-piperidin-1-ylethylsulfanyl)pyridin-1-ium chloride Traditional Name: 1-methyl-2-(1-piperidinoethylthio)pyridin-1-ium chloride Formula: C13H21ClN2S MolecularWeight: 272.83724

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Descriptors Computed from Structure

Canonical SMILES:

CC(N1CCCCC1)SC2=CC=CC=[N+]2C.[Cl-]

Isomeric SMILES

CC(N1CCCCC1)SC2=CC=CC=[N+]2C.[Cl-]

InChI

InChI=1S/C13H21N2S.ClH/c1-12(15-10-5-3-6-11-15)16-13-8-4-7-9-14(13)2;/h4,7-9,12H,3,5-6,10-11H2,1-2H3;1H/q+1;/p-1