3-[4-[(2-chloranyl-6-fluoranyl-phenyl)methyl]piperazin-4-ium-1-yl]propanenitrile

Systemtic Name: 3-[4-[(2-chloranyl-6-fluoranyl-phenyl)methyl]piperazin-4-ium-1-yl]propanenitrile Openeye Name: 3-[4-[(2-chloro-6-fluoro-phenyl)methyl]piperazin-4-ium-1-yl]propanenitrile CAS Name: 3-[4-[(2-chloro-6-fluorophenyl)methyl]-1-piperazin-4-iumyl]propanenitrile IUPAC Name: 3-[4-[(2-chloro-6-fluorophenyl)methyl]piperazin-4-ium-1-yl]propanenitrile Traditional Name: 3-[4-(2-chloro-6-fluoro-benzyl)piperazin-4-ium-1-yl]propionitrile Formula: C14H18ClFN3+ MolecularWeight: 282.764223

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=C(C=CC=C2Cl)F)CCC#N

Isomeric SMILES

C1CN(CC[NH+]1CC2=C(C=CC=C2Cl)F)CCC#N

InChI

InChI=1S/C14H17ClFN3/c15-13-3-1-4-14(16)12(13)11-19-9-7-18(8-10-19)6-2-5-17/h1,3-4H,2,6-11H2/p+1