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

Systemtic Name: 1-(hexadecylsulfanylmethyl)-N,N-dimethyl-pyridin-1-ium-4-amine chloride Openeye Name: 1-(hexadecylsulfanylmethyl)-N,N-dimethyl-pyridin-1-ium-4-amine chloride CAS Name: 1-[(hexadecylthio)methyl]-N,N-dimethyl-4-pyridin-1-iumamine chloride IUPAC Name: 1-(hexadecylsulfanylmethyl)-N,N-dimethylpyridin-1-ium-4-amine chloride Traditional Name: [1-[(cetylthio)methyl]pyridin-1-ium-4-yl]-dimethyl-amine chloride Formula: C24H45ClN2S MolecularWeight: 429.1455

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H45N2S.ClH/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-22-27-23-26-20-18-24(19-21-26)25(2)3;/h18-21H,4-17,22-23H2,1-3H3;1H/q+1;/p-1