2-(1-methylpyridin-1-ium-4-yl)-1-morpholin-4-yl-ethanethione iodide

Systemtic Name: 2-(1-methylpyridin-1-ium-4-yl)-1-morpholin-4-yl-ethanethione iodide Openeye Name: 2-(1-methylpyridin-1-ium-4-yl)-1-morpholino-ethanethione iodide CAS Name: 2-(1-methyl-4-pyridin-1-iumyl)-1-(4-morpholinyl)ethanethione iodide IUPAC Name: 2-(1-methylpyridin-1-ium-4-yl)-1-morpholin-4-ylethanethione iodide Traditional Name: 2-(1-methylpyridin-1-ium-4-yl)-1-morpholino-ethanethione iodide Formula: C12H17IN2OS MolecularWeight: 364.24565

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1=CC=C(C=C1)CC(=S)N2CCOCC2.[I-]

Isomeric SMILES

C[N+]1=CC=C(C=C1)CC(=S)N2CCOCC2.[I-]

InChI

InChI=1S/C12H17N2OS.HI/c1-13-4-2-11(3-5-13)10-12(16)14-6-8-15-9-7-14;/h2-5H,6-10H2,1H3;1H/q+1;/p-1