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

Systemtic Name: 1-(hexadecylsulfanylmethyl)-N,N-dimethyl-pyridin-1-ium-4-amine Openeye Name: 1-(hexadecylsulfanylmethyl)-N,N-dimethyl-pyridin-1-ium-4-amine CAS Name: 1-[(hexadecylthio)methyl]-N,N-dimethyl-4-pyridin-1-iumamine IUPAC Name: 1-(hexadecylsulfanylmethyl)-N,N-dimethylpyridin-1-ium-4-amine Traditional Name: [1-[(cetylthio)methyl]pyridin-1-ium-4-yl]-dimethyl-amine Formula: C24H45N2S+ MolecularWeight: 393.6925

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H45N2S/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/q+1