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

Systemtic Name: (NE)-N-[[1-(4-ethoxyphenyl)-3-methyl-2-methylsulfanyl-imidazol-1-ium-4-yl]methylidene]hydroxylamine iodide Openeye Name: (4E)-1-(4-ethoxyphenyl)-3-methyl-2-methylsulfanyl-imidazol-1-ium-4-carbaldehyde oxime iodide CAS Name: (4E)-1-(4-ethoxyphenyl)-3-methyl-2-(methylthio)-4-imidazol-1-iumcarboxaldehyde oxime iodide IUPAC Name: (NE)-N-[[1-(4-ethoxyphenyl)-3-methyl-2-methylsulfanylimidazol-1-ium-4-yl]methylidene]hydroxylamine iodide Traditional Name: (4E)-3-methyl-2-(methylthio)-1-p-phenetyl-imidazol-1-ium-4-carbaldehyde oxime iodide Formula: C14H18IN3O2S MolecularWeight: 419.28109

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)[N+]2=C(N(C(=C2)C=NO)C)SC.[I-]

Isomeric SMILES

CCOC1=CC=C(C=C1)[N+]2=C(N(C(=C2)/C=N/O)C)SC.[I-]

InChI

InChI=1S/C14H17N3O2S.HI/c1-4-19-13-7-5-11(6-8-13)17-10-12(9-15-18)16(2)14(17)20-3;/h5-10H,4H2,1-3H3;1H/b15-9+;