2-azanyl-6-methyl-4-(1-methylpyridin-1-ium-3-yl)-4H-thiopyran-3,5-dicarbonitrile iodide

Systemtic Name: 2-azanyl-6-methyl-4-(1-methylpyridin-1-ium-3-yl)-4H-thiopyran-3,5-dicarbonitrile iodide Openeye Name: 2-amino-6-methyl-4-(1-methylpyridin-1-ium-3-yl)-4H-thiopyran-3,5-dicarbonitrile iodide CAS Name: 2-amino-6-methyl-4-(1-methyl-3-pyridin-1-iumyl)-4H-thiopyran-3,5-dicarbonitrile iodide IUPAC Name: 2-amino-6-methyl-4-(1-methylpyridin-1-ium-3-yl)-4H-thiopyran-3,5-dicarbonitrile iodide Traditional Name: 2-amino-6-methyl-4-(1-methylpyridin-1-ium-3-yl)-4H-thiopyran-3,5-dicarbonitrile iodide Formula: C14H13IN4S MolecularWeight: 396.24929

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(C(=C(S1)N)C#N)C2=C[N+](=CC=C2)C)C#N.[I-]

Isomeric SMILES

CC1=C(C(C(=C(S1)N)C#N)C2=C[N+](=CC=C2)C)C#N.[I-]

InChI

InChI=1S/C14H13N4S.HI/c1-9-11(6-15)13(12(7-16)14(17)19-9)10-4-3-5-18(2)8-10;/h3-5,8,13H,17H2,1-2H3;1H/q+1;/p-1