4-[[4-(3-chloranyl-4-fluoranyl-phenyl)-4-(1H-imidazol-5-ylmethyl)-3-oxidanylidene-piperazin-4-ium-1-yl]methyl]benzenecarbonitrile

Systemtic Name: 4-[[4-(3-chloranyl-4-fluoranyl-phenyl)-4-(1H-imidazol-5-ylmethyl)-3-oxidanylidene-piperazin-4-ium-1-yl]methyl]benzenecarbonitrile Openeye Name: 4-[[4-(3-chloro-4-fluoro-phenyl)-4-(1H-imidazol-5-ylmethyl)-3-oxo-piperazin-4-ium-1-yl]methyl]benzonitrile CAS Name: 4-[[4-(3-chloro-4-fluorophenyl)-4-(1H-imidazol-5-ylmethyl)-3-oxo-1-piperazin-4-iumyl]methyl]benzonitrile IUPAC Name: 4-[[4-(3-chloro-4-fluorophenyl)-4-(1H-imidazol-5-ylmethyl)-3-oxopiperazin-4-ium-1-yl]methyl]benzonitrile Traditional Name: 4-[[4-(3-chloro-4-fluoro-phenyl)-4-(1H-imidazol-5-ylmethyl)-3-keto-piperazin-4-ium-1-yl]methyl]benzonitrile Formula: C22H20ClFN5O+ MolecularWeight: 424.878503

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Descriptors Computed from Structure

Canonical SMILES:

C1C[N+](C(=O)CN1CC2=CC=C(C=C2)C#N)(CC3=CN=CN3)C4=CC(=C(C=C4)F)Cl

Isomeric SMILES

C1C[N+](C(=O)CN1CC2=CC=C(C=C2)C#N)(CC3=CN=CN3)C4=CC(=C(C=C4)F)Cl

InChI

InChI=1S/C22H20ClFN5O/c23-20-9-19(5-6-21(20)24)29(14-18-11-26-15-27-18)8-7-28(13-22(29)30)12-17-3-1-16(10-25)2-4-17/h1-6,9,11,15H,7-8,12-14H2,(H,26,27)/q+1