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

Systemtic Name: 1-(decylsulfanylmethyl)-N,N-dimethyl-pyridin-1-ium-4-amine chloride Openeye Name: 1-(decylsulfanylmethyl)-N,N-dimethyl-pyridin-1-ium-4-amine chloride CAS Name: 1-[(decylthio)methyl]-N,N-dimethyl-4-pyridin-1-iumamine chloride IUPAC Name: 1-(decylsulfanylmethyl)-N,N-dimethylpyridin-1-ium-4-amine chloride Traditional Name: [1-[(decylthio)methyl]pyridin-1-ium-4-yl]-dimethyl-amine chloride Formula: C18H33ClN2S MolecularWeight: 344.98602

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H33N2S.ClH/c1-4-5-6-7-8-9-10-11-16-21-17-20-14-12-18(13-15-20)19(2)3;/h12-15H,4-11,16-17H2,1-3H3;1H/q+1;/p-1