4-[[4-[(2-chloranyl-6-fluoranyl-phenyl)methyl]piperazine-1,4-diium-1-yl]methyl]benzenecarbonitrile

Systemtic Name: 4-[[4-[(2-chloranyl-6-fluoranyl-phenyl)methyl]piperazine-1,4-diium-1-yl]methyl]benzenecarbonitrile Openeye Name: 4-[[4-[(2-chloro-6-fluoro-phenyl)methyl]piperazine-1,4-diium-1-yl]methyl]benzonitrile CAS Name: 4-[[4-[(2-chloro-6-fluorophenyl)methyl]-1-piperazine-1,4-diiumyl]methyl]benzonitrile IUPAC Name: 4-[[4-[(2-chloro-6-fluorophenyl)methyl]piperazine-1,4-diium-1-yl]methyl]benzonitrile Traditional Name: 4-[[4-(2-chloro-6-fluoro-benzyl)piperazine-1,4-diium-1-yl]methyl]benzonitrile Formula: C19H21ClFN3+2 MolecularWeight: 345.841543

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CC[NH+]1CC2=CC=C(C=C2)C#N)CC3=C(C=CC=C3Cl)F

Isomeric SMILES

C1C[NH+](CC[NH+]1CC2=CC=C(C=C2)C#N)CC3=C(C=CC=C3Cl)F

InChI

InChI=1S/C19H19ClFN3/c20-18-2-1-3-19(21)17(18)14-24-10-8-23(9-11-24)13-16-6-4-15(12-22)5-7-16/h1-7H,8-11,13-14H2/p+2