4-[[4-[(4-bromanyl-2-fluoranyl-phenyl)methyl]piperazine-1,4-diium-1-yl]methyl]benzenecarbonitrile

Systemtic Name: 4-[[4-[(4-bromanyl-2-fluoranyl-phenyl)methyl]piperazine-1,4-diium-1-yl]methyl]benzenecarbonitrile Openeye Name: 4-[[4-[(4-bromo-2-fluoro-phenyl)methyl]piperazine-1,4-diium-1-yl]methyl]benzonitrile CAS Name: 4-[[4-[(4-bromo-2-fluorophenyl)methyl]-1-piperazine-1,4-diiumyl]methyl]benzonitrile IUPAC Name: 4-[[4-[(4-bromo-2-fluorophenyl)methyl]piperazine-1,4-diium-1-yl]methyl]benzonitrile Traditional Name: 4-[[4-(4-bromo-2-fluoro-benzyl)piperazine-1,4-diium-1-yl]methyl]benzonitrile Formula: C19H21BrFN3+2 MolecularWeight: 390.292543

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CC[NH+]1CC2=CC=C(C=C2)C#N)CC3=C(C=C(C=C3)Br)F

Isomeric SMILES

C1C[NH+](CC[NH+]1CC2=CC=C(C=C2)C#N)CC3=C(C=C(C=C3)Br)F

InChI

InChI=1S/C19H19BrFN3/c20-18-6-5-17(19(21)11-18)14-24-9-7-23(8-10-24)13-16-3-1-15(12-22)2-4-16/h1-6,11H,7-10,13-14H2/p+2