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

Systemtic Name: 3-fluoranyl-4-[(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)methyl]benzenecarbonitrile Openeye Name: 3-fluoro-4-[(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)methyl]benzonitrile CAS Name: 3-fluoro-4-[[4-(2-pyridin-1-iumyl)-1-piperazin-1-iumyl]methyl]benzonitrile IUPAC Name: 3-fluoro-4-[(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)methyl]benzonitrile Traditional Name: 3-fluoro-4-[(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)methyl]benzonitrile Formula: C17H19FN4+2 MolecularWeight: 298.357963

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=C(C=C(C=C2)C#N)F)C3=CC=CC=[NH+]3

Isomeric SMILES

C1CN(CC[NH+]1CC2=C(C=C(C=C2)C#N)F)C3=CC=CC=[NH+]3

InChI

InChI=1S/C17H17FN4/c18-16-11-14(12-19)4-5-15(16)13-21-7-9-22(10-8-21)17-3-1-2-6-20-17/h1-6,11H,7-10,13H2/p+2