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

Systemtic Name: [(2S)-2-(5-bromanyl-2-fluoranyl-phenyl)-2-(4-propylpiperazin-4-ium-1-yl)ethyl]azanium Openeye Name: [(2S)-2-(5-bromo-2-fluoro-phenyl)-2-(4-propylpiperazin-4-ium-1-yl)ethyl]ammonium CAS Name: [(2S)-2-(5-bromo-2-fluorophenyl)-2-(4-propyl-1-piperazin-4-iumyl)ethyl]ammonium IUPAC Name: [(2S)-2-(5-bromo-2-fluorophenyl)-2-(4-propylpiperazin-4-ium-1-yl)ethyl]azanium Traditional Name: [(2S)-2-(5-bromo-2-fluoro-phenyl)-2-(4-propylpiperazin-4-ium-1-yl)ethyl]ammonium Formula: C15H25BrFN3+2 MolecularWeight: 346.281503

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H23BrFN3/c1-2-5-19-6-8-20(9-7-19)15(11-18)13-10-12(16)3-4-14(13)17/h3-4,10,15H,2,5-9,11,18H2,1H3/p+2/t15-/m1/s1