2-fluoranyl-6-[4-[(2-fluorophenyl)methyl]piperazin-4-ium-1-yl]benzenecarbonitrile

Systemtic Name: 2-fluoranyl-6-[4-[(2-fluorophenyl)methyl]piperazin-4-ium-1-yl]benzenecarbonitrile Openeye Name: 2-fluoro-6-[4-[(2-fluorophenyl)methyl]piperazin-4-ium-1-yl]benzonitrile CAS Name: 2-fluoro-6-[4-[(2-fluorophenyl)methyl]-1-piperazin-4-iumyl]benzonitrile IUPAC Name: 2-fluoro-6-[4-[(2-fluorophenyl)methyl]piperazin-4-ium-1-yl]benzonitrile Traditional Name: 2-fluoro-6-[4-(2-fluorobenzyl)piperazin-4-ium-1-yl]benzonitrile Formula: C18H18F2N3+ MolecularWeight: 314.352426

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=CC=CC=C2F)C3=C(C(=CC=C3)F)C#N

Isomeric SMILES

C1CN(CC[NH+]1CC2=CC=CC=C2F)C3=C(C(=CC=C3)F)C#N

InChI

InChI=1S/C18H17F2N3/c19-16-5-2-1-4-14(16)13-22-8-10-23(11-9-22)18-7-3-6-17(20)15(18)12-21/h1-7H,8-11,13H2/p+1