4-[[4-(chloromethyl)-1H-imidazol-3-ium-3-yl]methyl]benzenecarbonitrile chloride

Systemtic Name: 4-[[4-(chloromethyl)-1H-imidazol-3-ium-3-yl]methyl]benzenecarbonitrile chloride Openeye Name: 4-[[4-(chloromethyl)-1H-imidazol-3-ium-3-yl]methyl]benzonitrile chloride CAS Name: 4-[[4-(chloromethyl)-1H-imidazol-3-ium-3-yl]methyl]benzonitrile chloride IUPAC Name: 4-[[4-(chloromethyl)-1H-imidazol-3-ium-3-yl]methyl]benzonitrile chloride Traditional Name: 4-[[4-(chloromethyl)-1H-imidazol-3-ium-3-yl]methyl]benzonitrile chloride Formula: C12H11Cl2N3 MolecularWeight: 268.14184

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C[N+]2=CNC=C2CCl)C#N.[Cl-]

Isomeric SMILES

C1=CC(=CC=C1C[N+]2=CNC=C2CCl)C#N.[Cl-]

InChI

InChI=1S/C12H10ClN3.ClH/c13-5-12-7-15-9-16(12)8-11-3-1-10(6-14)2-4-11;/h1-4,7,9H,5,8H2;1H