N,N-dimethyl-1-(octylsulfanylmethyl)pyridin-1-ium-4-amine chloride

Systemtic Name: N,N-dimethyl-1-(octylsulfanylmethyl)pyridin-1-ium-4-amine chloride Openeye Name: N,N-dimethyl-1-(octylsulfanylmethyl)pyridin-1-ium-4-amine chloride CAS Name: N,N-dimethyl-1-[(octylthio)methyl]-4-pyridin-1-iumamine chloride IUPAC Name: N,N-dimethyl-1-(octylsulfanylmethyl)pyridin-1-ium-4-amine chloride Traditional Name: dimethyl-[1-[(octylthio)methyl]pyridin-1-ium-4-yl]amine chloride Formula: C16H29ClN2S MolecularWeight: 316.93286

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H29N2S.ClH/c1-4-5-6-7-8-9-14-19-15-18-12-10-16(11-13-18)17(2)3;/h10-13H,4-9,14-15H2,1-3H3;1H/q+1;/p-1