4-[[4-(4-bromanyl-2-nitro-phenyl)piperazin-1-ium-1-yl]methyl]benzenecarbonitrile

Systemtic Name: 4-[[4-(4-bromanyl-2-nitro-phenyl)piperazin-1-ium-1-yl]methyl]benzenecarbonitrile Openeye Name: 4-[[4-(4-bromo-2-nitro-phenyl)piperazin-1-ium-1-yl]methyl]benzonitrile CAS Name: 4-[[4-(4-bromo-2-nitrophenyl)-1-piperazin-1-iumyl]methyl]benzonitrile IUPAC Name: 4-[[4-(4-bromo-2-nitrophenyl)piperazin-1-ium-1-yl]methyl]benzonitrile Traditional Name: 4-[[4-(4-bromo-2-nitro-phenyl)piperazin-1-ium-1-yl]methyl]benzonitrile Formula: C18H18BrN4O2+ MolecularWeight: 402.26512

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=CC=C(C=C2)C#N)C3=C(C=C(C=C3)Br)[N+](=O)[O-]

Isomeric SMILES

C1CN(CC[NH+]1CC2=CC=C(C=C2)C#N)C3=C(C=C(C=C3)Br)[N+](=O)[O-]

InChI

InChI=1S/C18H17BrN4O2/c19-16-5-6-17(18(11-16)23(24)25)22-9-7-21(8-10-22)13-15-3-1-14(12-20)2-4-15/h1-6,11H,7-10,13H2/p+1