3-[4-[(2-chloranyl-6-fluoranyl-phenyl)methyl]piperazine-1,4-diium-1-yl]propylazanium

Systemtic Name: 3-[4-[(2-chloranyl-6-fluoranyl-phenyl)methyl]piperazine-1,4-diium-1-yl]propylazanium Openeye Name: 3-[4-[(2-chloro-6-fluoro-phenyl)methyl]piperazine-1,4-diium-1-yl]propylammonium CAS Name: 3-[4-[(2-chloro-6-fluorophenyl)methyl]-1-piperazine-1,4-diiumyl]propylammonium IUPAC Name: 3-[4-[(2-chloro-6-fluorophenyl)methyl]piperazine-1,4-diium-1-yl]propylazanium Traditional Name: 3-[4-(2-chloro-6-fluoro-benzyl)piperazine-1,4-diium-1-yl]propylammonium Formula: C14H24ClFN3+3 MolecularWeight: 288.811863

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CC[NH+]1CCC[NH3+])CC2=C(C=CC=C2Cl)F

Isomeric SMILES

C1C[NH+](CC[NH+]1CCC[NH3+])CC2=C(C=CC=C2Cl)F

InChI

InChI=1S/C14H21ClFN3/c15-13-3-1-4-14(16)12(13)11-19-9-7-18(8-10-19)6-2-5-17/h1,3-4H,2,5-11,17H2/p+3