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

Systemtic Name: 2-[4-[(2-chloranyl-6-fluoranyl-phenyl)methyl]piperazin-4-ium-1-yl]ethylazanium Openeye Name: 2-[4-[(2-chloro-6-fluoro-phenyl)methyl]piperazin-4-ium-1-yl]ethylammonium CAS Name: 2-[4-[(2-chloro-6-fluorophenyl)methyl]-1-piperazin-4-iumyl]ethylammonium IUPAC Name: 2-[4-[(2-chloro-6-fluorophenyl)methyl]piperazin-4-ium-1-yl]ethylazanium Traditional Name: 2-[4-(2-chloro-6-fluoro-benzyl)piperazin-4-ium-1-yl]ethylammonium Formula: C13H21ClFN3+2 MolecularWeight: 273.777343

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=C(C=CC=C2Cl)F)CC[NH3+]

Isomeric SMILES

C1CN(CC[NH+]1CC2=C(C=CC=C2Cl)F)CC[NH3+]

InChI

InChI=1S/C13H19ClFN3/c14-12-2-1-3-13(15)11(12)10-18-8-6-17(5-4-16)7-9-18/h1-3H,4-10,16H2/p+2