2-chloranyl-5-fluoranyl-4-(4-methylpiperazin-4-ium-1-yl)benzenecarbonitrile

Systemtic Name: 2-chloranyl-5-fluoranyl-4-(4-methylpiperazin-4-ium-1-yl)benzenecarbonitrile Openeye Name: 2-chloro-5-fluoro-4-(4-methylpiperazin-4-ium-1-yl)benzonitrile CAS Name: 2-chloro-5-fluoro-4-(4-methyl-1-piperazin-4-iumyl)benzonitrile IUPAC Name: 2-chloro-5-fluoro-4-(4-methylpiperazin-4-ium-1-yl)benzonitrile Traditional Name: 2-chloro-5-fluoro-4-(4-methylpiperazin-4-ium-1-yl)benzonitrile Formula: C12H14ClFN3+ MolecularWeight: 254.711063

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H13ClFN3/c1-16-2-4-17(5-3-16)12-7-10(13)9(8-15)6-11(12)14/h6-7H,2-5H2,1H3/p+1