2-chloranyl-5-fluoranyl-4-piperazin-4-ium-1-yl-benzenecarbonitrile

Systemtic Name: 2-chloranyl-5-fluoranyl-4-piperazin-4-ium-1-yl-benzenecarbonitrile Openeye Name: 2-chloro-5-fluoro-4-piperazin-4-ium-1-yl-benzonitrile CAS Name: 2-chloro-5-fluoro-4-(1-piperazin-4-iumyl)benzonitrile IUPAC Name: 2-chloro-5-fluoro-4-piperazin-4-ium-1-ylbenzonitrile Traditional Name: 2-chloro-5-fluoro-4-piperazin-4-ium-1-yl-benzonitrile Formula: C11H12ClFN3+ MolecularWeight: 240.684483

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C11H11ClFN3/c12-9-6-11(10(13)5-8(9)7-14)16-3-1-15-2-4-16/h5-6,15H,1-4H2/p+1