3-fluoranyl-4-[(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)methyl]benzenecarbonitrile

Systemtic Name: 3-fluoranyl-4-[(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)methyl]benzenecarbonitrile Openeye Name: 3-fluoro-4-[(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)methyl]benzonitrile CAS Name: 3-fluoro-4-[[4-(2-pyrimidinyl)-1-piperazin-1-iumyl]methyl]benzonitrile IUPAC Name: 3-fluoro-4-[(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)methyl]benzonitrile Traditional Name: 3-fluoro-4-[[4-(2-pyrimidyl)piperazin-1-ium-1-yl]methyl]benzonitrile Formula: C16H17FN5+ MolecularWeight: 298.338083

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=C(C=C(C=C2)C#N)F)C3=NC=CC=N3

Isomeric SMILES

C1CN(CC[NH+]1CC2=C(C=C(C=C2)C#N)F)C3=NC=CC=N3

InChI

InChI=1S/C16H16FN5/c17-15-10-13(11-18)2-3-14(15)12-21-6-8-22(9-7-21)16-19-4-1-5-20-16/h1-5,10H,6-9,12H2/p+1