4-[(Z)-2-(1-methylpyridin-1-ium-2-yl)-1-methylsulfanyl-ethenyl]morpholine iodide

Systemtic Name: 4-[(Z)-2-(1-methylpyridin-1-ium-2-yl)-1-methylsulfanyl-ethenyl]morpholine iodide Openeye Name: 4-[(Z)-2-(1-methylpyridin-1-ium-2-yl)-1-methylsulfanyl-vinyl]morpholine iodide CAS Name: 4-[(Z)-2-(1-methyl-2-pyridin-1-iumyl)-1-(methylthio)ethenyl]morpholine iodide IUPAC Name: 4-[(Z)-2-(1-methylpyridin-1-ium-2-yl)-1-methylsulfanylethenyl]morpholine iodide Traditional Name: 4-[(Z)-2-(1-methylpyridin-1-ium-2-yl)-1-(methylthio)vinyl]morpholine iodide Formula: C13H19IN2OS MolecularWeight: 378.27223

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1=CC=CC=C1C=C(N2CCOCC2)SC.[I-]

Isomeric SMILES

C[N+]1=CC=CC=C1/C=C(/N2CCOCC2)\SC.[I-]

InChI

InChI=1S/C13H19N2OS.HI/c1-14-6-4-3-5-12(14)11-13(17-2)15-7-9-16-10-8-15;/h3-6,11H,7-10H2,1-2H3;1H/q+1;/p-1