(NE)-N-[[3-methyl-1-(4-methylphenyl)-2-methylsulfanyl-imidazol-1-ium-4-yl]methylidene]hydroxylamine iodide

Systemtic Name: (NE)-N-[[3-methyl-1-(4-methylphenyl)-2-methylsulfanyl-imidazol-1-ium-4-yl]methylidene]hydroxylamine iodide Openeye Name: (4E)-3-methyl-2-methylsulfanyl-1-(p-tolyl)imidazol-1-ium-4-carbaldehyde oxime iodide CAS Name: (4E)-3-methyl-1-(4-methylphenyl)-2-(methylthio)-4-imidazol-1-iumcarboxaldehyde oxime iodide IUPAC Name: (NE)-N-[[3-methyl-1-(4-methylphenyl)-2-methylsulfanylimidazol-1-ium-4-yl]methylidene]hydroxylamine iodide Traditional Name: (4E)-3-methyl-2-(methylthio)-1-(p-tolyl)imidazol-1-ium-4-carbaldehyde oxime iodide Formula: C13H16IN3OS MolecularWeight: 389.25511

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)[N+]2=C(N(C(=C2)C=NO)C)SC.[I-]

Isomeric SMILES

CC1=CC=C(C=C1)[N+]2=C(N(C(=C2)/C=N/O)C)SC.[I-]

InChI

InChI=1S/C13H15N3OS.HI/c1-10-4-6-11(7-5-10)16-9-12(8-14-17)15(2)13(16)18-3;/h4-9H,1-3H3;1H/b14-8+;