3-fluoranyl-4-(4-methylpiperazin-4-ium-1-yl)benzenecarbonitrile

Systemtic Name: 3-fluoranyl-4-(4-methylpiperazin-4-ium-1-yl)benzenecarbonitrile Openeye Name: 3-fluoro-4-(4-methylpiperazin-4-ium-1-yl)benzonitrile CAS Name: 3-fluoro-4-(4-methyl-1-piperazin-4-iumyl)benzonitrile IUPAC Name: 3-fluoro-4-(4-methylpiperazin-4-ium-1-yl)benzonitrile Traditional Name: 3-fluoro-4-(4-methylpiperazin-4-ium-1-yl)benzonitrile Formula: C12H15FN3+ MolecularWeight: 220.266003

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCN(CC1)C2=C(C=C(C=C2)C#N)F

Isomeric SMILES

C[NH+]1CCN(CC1)C2=C(C=C(C=C2)C#N)F

InChI

InChI=1S/C12H14FN3/c1-15-4-6-16(7-5-15)12-3-2-10(9-14)8-11(12)13/h2-3,8H,4-7H2,1H3/p+1