2-[4-[(E)-2-(4-methylsulfanylphenyl)ethenyl]-2-pyridin-2-yl-pyridin-1-ium-1-yl]ethanamine

Systemtic Name: 2-[4-[(E)-2-(4-methylsulfanylphenyl)ethenyl]-2-pyridin-2-yl-pyridin-1-ium-1-yl]ethanamine Openeye Name: 2-[4-[(E)-2-(4-methylsulfanylphenyl)vinyl]-2-(2-pyridyl)pyridin-1-ium-1-yl]ethanamine CAS Name: 2-[4-[(E)-2-[4-(methylthio)phenyl]ethenyl]-2-(2-pyridinyl)-1-pyridin-1-iumyl]ethanamine IUPAC Name: 2-[4-[(E)-2-(4-methylsulfanylphenyl)ethenyl]-2-pyridin-2-ylpyridin-1-ium-1-yl]ethanamine Traditional Name: 2-[4-[(E)-2-[4-(methylthio)phenyl]vinyl]-2-(2-pyridyl)pyridin-1-ium-1-yl]ethylamine Formula: C21H22N3S+ MolecularWeight: 348.48448

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC=C(C=C1)C=CC2=CC(=[N+](C=C2)CCN)C3=CC=CC=N3

Isomeric SMILES

CSC1=CC=C(C=C1)/C=C/C2=CC(=[N+](C=C2)CCN)C3=CC=CC=N3

InChI

InChI=1S/C21H22N3S/c1-25-19-9-7-17(8-10-19)5-6-18-11-14-24(15-12-22)21(16-18)20-4-2-3-13-23-20/h2-11,13-14,16H,12,15,22H2,1H3/q+1/b6-5+