[(2S)-2-(5-bromanyl-2-fluoranyl-phenyl)-2-(4-methylpiperazin-4-ium-1-yl)ethyl]azanium

Systemtic Name: [(2S)-2-(5-bromanyl-2-fluoranyl-phenyl)-2-(4-methylpiperazin-4-ium-1-yl)ethyl]azanium Openeye Name: [(2S)-2-(5-bromo-2-fluoro-phenyl)-2-(4-methylpiperazin-4-ium-1-yl)ethyl]ammonium CAS Name: [(2S)-2-(5-bromo-2-fluorophenyl)-2-(4-methyl-1-piperazin-4-iumyl)ethyl]ammonium IUPAC Name: [(2S)-2-(5-bromo-2-fluorophenyl)-2-(4-methylpiperazin-4-ium-1-yl)ethyl]azanium Traditional Name: [(2S)-2-(5-bromo-2-fluoro-phenyl)-2-(4-methylpiperazin-4-ium-1-yl)ethyl]ammonium Formula: C13H21BrFN3+2 MolecularWeight: 318.228343

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCN(CC1)C(C[NH3+])C2=C(C=CC(=C2)Br)F

Isomeric SMILES

C[NH+]1CCN(CC1)[C@H](C[NH3+])C2=C(C=CC(=C2)Br)F

InChI

InChI=1S/C13H19BrFN3/c1-17-4-6-18(7-5-17)13(9-16)11-8-10(14)2-3-12(11)15/h2-3,8,13H,4-7,9,16H2,1H3/p+2/t13-/m1/s1