3-fluoranyl-4-(piperazin-4-ium-1-ylmethyl)benzenecarbonitrile

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

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH2+]1)CC2=C(C=C(C=C2)C#N)F

Isomeric SMILES

C1CN(CC[NH2+]1)CC2=C(C=C(C=C2)C#N)F

InChI

InChI=1S/C12H14FN3/c13-12-7-10(8-14)1-2-11(12)9-16-5-3-15-4-6-16/h1-2,7,15H,3-6,9H2/p+1