6-[2-[(E)-2-(4-methylsulfanylphenyl)ethenyl]pyridin-1-ium-1-yl]hexan-1-amine

Systemtic Name: 6-[2-[(E)-2-(4-methylsulfanylphenyl)ethenyl]pyridin-1-ium-1-yl]hexan-1-amine Openeye Name: 6-[2-[(E)-2-(4-methylsulfanylphenyl)vinyl]pyridin-1-ium-1-yl]hexan-1-amine CAS Name: 6-[2-[(E)-2-[4-(methylthio)phenyl]ethenyl]-1-pyridin-1-iumyl]-1-hexanamine IUPAC Name: 6-[2-[(E)-2-(4-methylsulfanylphenyl)ethenyl]pyridin-1-ium-1-yl]hexan-1-amine Traditional Name: 6-[2-[(E)-2-[4-(methylthio)phenyl]vinyl]pyridin-1-ium-1-yl]hexylamine Formula: C20H27N2S+ MolecularWeight: 327.50678

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC=C(C=C1)C=CC2=CC=CC=[N+]2CCCCCCN

Isomeric SMILES

CSC1=CC=C(C=C1)/C=C/C2=CC=CC=[N+]2CCCCCCN

InChI

InChI=1S/C20H27N2S/c1-23-20-13-10-18(11-14-20)9-12-19-8-4-7-17-22(19)16-6-3-2-5-15-21/h4,7-14,17H,2-3,5-6,15-16,21H2,1H3/q+1/b12-9+