3-azanyl-1,3-bis[(2-bromanyl-5-fluoranyl-phenyl)methyl]-5-piperidin-1-yl-pyrimidin-3-ium-2,4-dione

Systemtic Name: 3-azanyl-1,3-bis[(2-bromanyl-5-fluoranyl-phenyl)methyl]-5-piperidin-1-yl-pyrimidin-3-ium-2,4-dione Openeye Name: 3-amino-1,3-bis[(2-bromo-5-fluoro-phenyl)methyl]-5-(1-piperidyl)pyrimidin-3-ium-2,4-dione CAS Name: 3-amino-1,3-bis[(2-bromo-5-fluorophenyl)methyl]-5-(1-piperidinyl)pyrimidin-3-ium-2,4-dione IUPAC Name: 3-amino-1,3-bis[(2-bromo-5-fluorophenyl)methyl]-5-piperidin-1-ylpyrimidin-3-ium-2,4-dione Traditional Name: 3-amino-1,3-bis(2-bromo-5-fluoro-benzyl)-5-piperidino-pyrimidin-3-ium-2,4-quinone Formula: C23H23Br2F2N4O2+ MolecularWeight: 585.259126

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)C2=CN(C(=O)[N+](C2=O)(CC3=C(C=CC(=C3)F)Br)N)CC4=C(C=CC(=C4)F)Br

Isomeric SMILES

C1CCN(CC1)C2=CN(C(=O)[N+](C2=O)(CC3=C(C=CC(=C3)F)Br)N)CC4=C(C=CC(=C4)F)Br

InChI

InChI=1S/C23H23Br2F2N4O2/c24-19-6-4-17(26)10-15(19)12-30-13-21(29-8-2-1-3-9-29)22(32)31(28,23(30)33)14-16-11-18(27)5-7-20(16)25/h4-7,10-11,13H,1-3,8-9,12,14,28H2/q+1