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

Systemtic Name: 1-(hexylsulfanylmethyl)-N,N-dimethyl-pyridin-1-ium-4-amine chloride Openeye Name: 1-(hexylsulfanylmethyl)-N,N-dimethyl-pyridin-1-ium-4-amine chloride CAS Name: 1-[(hexylthio)methyl]-N,N-dimethyl-4-pyridin-1-iumamine chloride IUPAC Name: 1-(hexylsulfanylmethyl)-N,N-dimethylpyridin-1-ium-4-amine chloride Traditional Name: [1-[(hexylthio)methyl]pyridin-1-ium-4-yl]-dimethyl-amine chloride Formula: C14H25ClN2S MolecularWeight: 288.8797

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H25N2S.ClH/c1-4-5-6-7-12-17-13-16-10-8-14(9-11-16)15(2)3;/h8-11H,4-7,12-13H2,1-3H3;1H/q+1;/p-1