2-chloranyl-3-[(E)-2-(1-methylpyridin-1-ium-2-yl)ethenyl]-7-methylsulfanyl-quinoline

Systemtic Name: 2-chloranyl-3-[(E)-2-(1-methylpyridin-1-ium-2-yl)ethenyl]-7-methylsulfanyl-quinoline Openeye Name: 2-chloro-3-[(E)-2-(1-methylpyridin-1-ium-2-yl)vinyl]-7-methylsulfanyl-quinoline CAS Name: 2-chloro-3-[(E)-2-(1-methyl-2-pyridin-1-iumyl)ethenyl]-7-(methylthio)quinoline IUPAC Name: 2-chloro-3-[(E)-2-(1-methylpyridin-1-ium-2-yl)ethenyl]-7-methylsulfanylquinoline Traditional Name: 2-chloro-3-[(E)-2-(1-methylpyridin-1-ium-2-yl)vinyl]-7-(methylthio)quinoline Formula: C18H16ClN2S+ MolecularWeight: 327.85104

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1=CC=CC=C1C=CC2=C(N=C3C=C(C=CC3=C2)SC)Cl

Isomeric SMILES

C[N+]1=CC=CC=C1/C=C/C2=C(N=C3C=C(C=CC3=C2)SC)Cl

InChI

InChI=1S/C18H16ClN2S/c1-21-10-4-3-5-15(21)8-6-14-11-13-7-9-16(22-2)12-17(13)20-18(14)19/h3-12H,1-2H3/q+1