2-fluoranyl-6-[4-[(5-fluoranyl-2-methoxy-phenyl)methyl]piperazin-4-ium-1-yl]benzenecarbonitrile

Systemtic Name: 2-fluoranyl-6-[4-[(5-fluoranyl-2-methoxy-phenyl)methyl]piperazin-4-ium-1-yl]benzenecarbonitrile Openeye Name: 2-fluoro-6-[4-[(5-fluoro-2-methoxy-phenyl)methyl]piperazin-4-ium-1-yl]benzonitrile CAS Name: 2-fluoro-6-[4-[(5-fluoro-2-methoxyphenyl)methyl]-1-piperazin-4-iumyl]benzonitrile IUPAC Name: 2-fluoro-6-[4-[(5-fluoro-2-methoxyphenyl)methyl]piperazin-4-ium-1-yl]benzonitrile Traditional Name: 2-fluoro-6-[4-(5-fluoro-2-methoxy-benzyl)piperazin-4-ium-1-yl]benzonitrile Formula: C19H20F2N3O+ MolecularWeight: 344.378406

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)F)C[NH+]2CCN(CC2)C3=C(C(=CC=C3)F)C#N

Isomeric SMILES

COC1=C(C=C(C=C1)F)C[NH+]2CCN(CC2)C3=C(C(=CC=C3)F)C#N

InChI

InChI=1S/C19H19F2N3O/c1-25-19-6-5-15(20)11-14(19)13-23-7-9-24(10-8-23)18-4-2-3-17(21)16(18)12-22/h2-6,11H,7-10,13H2,1H3/p+1