[4-bromanyl-3-(trifluoromethyl)phenyl]-[2-(4-ethanoylpiperazin-1-yl)-2-oxidanylidene-ethyl]azanium

Systemtic Name: [4-bromanyl-3-(trifluoromethyl)phenyl]-[2-(4-ethanoylpiperazin-1-yl)-2-oxidanylidene-ethyl]azanium Openeye Name: [2-(4-acetylpiperazin-1-yl)-2-oxo-ethyl]-[4-bromo-3-(trifluoromethyl)phenyl]ammonium CAS Name: [2-(4-acetyl-1-piperazinyl)-2-oxoethyl]-[4-bromo-3-(trifluoromethyl)phenyl]ammonium IUPAC Name: [2-(4-acetylpiperazin-1-yl)-2-oxoethyl]-[4-bromo-3-(trifluoromethyl)phenyl]azanium Traditional Name: [2-(4-acetylpiperazino)-2-keto-ethyl]-[4-bromo-3-(trifluoromethyl)phenyl]ammonium Formula: C15H18BrF3N3O2+ MolecularWeight: 409.22153

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)N1CCN(CC1)C(=O)C[NH2+]C2=CC(=C(C=C2)Br)C(F)(F)F

Isomeric SMILES

CC(=O)N1CCN(CC1)C(=O)C[NH2+]C2=CC(=C(C=C2)Br)C(F)(F)F

InChI

InChI=1S/C15H17BrF3N3O2/c1-10(23)21-4-6-22(7-5-21)14(24)9-20-11-2-3-13(16)12(8-11)15(17,18)19/h2-3,8,20H,4-7,9H2,1H3/p+1