4-[[4-[(3-fluorophenyl)methyl]piperazine-1,4-diium-1-yl]methyl]benzenecarbonitrile

Systemtic Name: 4-[[4-[(3-fluorophenyl)methyl]piperazine-1,4-diium-1-yl]methyl]benzenecarbonitrile Openeye Name: 4-[[4-[(3-fluorophenyl)methyl]piperazine-1,4-diium-1-yl]methyl]benzonitrile CAS Name: 4-[[4-[(3-fluorophenyl)methyl]-1-piperazine-1,4-diiumyl]methyl]benzonitrile IUPAC Name: 4-[[4-[(3-fluorophenyl)methyl]piperazine-1,4-diium-1-yl]methyl]benzonitrile Traditional Name: 4-[[4-(3-fluorobenzyl)piperazine-1,4-diium-1-yl]methyl]benzonitrile Formula: C19H22FN3+2 MolecularWeight: 311.396483

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H20FN3/c20-19-3-1-2-18(12-19)15-23-10-8-22(9-11-23)14-17-6-4-16(13-21)5-7-17/h1-7,12H,8-11,14-15H2/p+2