4-[(E)-[4,5-dihydro-1H-imidazol-1-ium-2-yl(2-hydroxyethyl)hydrazinylidene]methyl]benzenecarbonitrile iodide

Systemtic Name: 4-[(E)-[4,5-dihydro-1H-imidazol-1-ium-2-yl(2-hydroxyethyl)hydrazinylidene]methyl]benzenecarbonitrile iodide Openeye Name: 4-[(E)-[4,5-dihydro-1H-imidazol-1-ium-2-yl(2-hydroxyethyl)hydrazono]methyl]benzonitrile iodide CAS Name: 4-[(E)-[4,5-dihydro-1H-imidazol-1-ium-2-yl(2-hydroxyethyl)hydrazinylidene]methyl]benzonitrile iodide IUPAC Name: 4-[(E)-[4,5-dihydro-1H-imidazol-1-ium-2-yl(2-hydroxyethyl)hydrazinylidene]methyl]benzonitrile iodide Traditional Name: 4-[(E)-[2-hydroxyethyl(2-imidazolin-1-ium-2-yl)hydrazono]methyl]benzonitrile iodide Formula: C13H16IN5O MolecularWeight: 385.20351

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Descriptors Computed from Structure

Canonical SMILES:

C1CN=C([NH2+]1)N(CCO)N=CC2=CC=C(C=C2)C#N.[I-]

Isomeric SMILES

C1CN=C([NH2+]1)N(CCO)/N=C/C2=CC=C(C=C2)C#N.[I-]

InChI

InChI=1S/C13H15N5O.HI/c14-9-11-1-3-12(4-2-11)10-17-18(7-8-19)13-15-5-6-16-13;/h1-4,10,19H,5-8H2,(H,15,16);1H/b17-10+;