1-butyl-2-(2,4-dichlorophenyl)-5-phenyl-imidazol-1-ium-2-carbonitrile nitrate

Systemtic Name: 1-butyl-2-(2,4-dichlorophenyl)-5-phenyl-imidazol-1-ium-2-carbonitrile nitrate Openeye Name: 1-butyl-2-(2,4-dichlorophenyl)-5-phenyl-imidazol-1-ium-2-carbonitrile nitrate CAS Name: 1-butyl-2-(2,4-dichlorophenyl)-5-phenyl-2-imidazol-1-iumcarbonitrile nitrate IUPAC Name: 1-butyl-2-(2,4-dichlorophenyl)-5-phenylimidazol-1-ium-2-carbonitrile nitrate Traditional Name: 1-butyl-2-(2,4-dichlorophenyl)-5-phenyl-imidazol-1-ium-2-carbonitrile nitrate Formula: C20H18Cl2N4O3 MolecularWeight: 433.28792

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Descriptors Computed from Structure

Canonical SMILES:

CCCC[N+]1=C(C=NC1(C#N)C2=C(C=C(C=C2)Cl)Cl)C3=CC=CC=C3.[N+](=O)([O-])[O-]

Isomeric SMILES

CCCC[N+]1=C(C=NC1(C#N)C2=C(C=C(C=C2)Cl)Cl)C3=CC=CC=C3.[N+](=O)([O-])[O-]

InChI

InChI=1S/C20H18Cl2N3.NO3/c1-2-3-11-25-19(15-7-5-4-6-8-15)13-24-20(25,14-23)17-10-9-16(21)12-18(17)22;2-1(3)4/h4-10,12-13H,2-3,11H2,1H3;/q+1;-1