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

Systemtic Name: 3-azanyl-1-[(2-bromanyl-5-fluoranyl-phenyl)methyl]-3-methyl-5-piperidin-1-yl-pyrimidin-3-ium-2,4-dione Openeye Name: 3-amino-1-[(2-bromo-5-fluoro-phenyl)methyl]-3-methyl-5-(1-piperidyl)pyrimidin-3-ium-2,4-dione CAS Name: 3-amino-1-[(2-bromo-5-fluorophenyl)methyl]-3-methyl-5-(1-piperidinyl)pyrimidin-3-ium-2,4-dione IUPAC Name: 3-amino-1-[(2-bromo-5-fluorophenyl)methyl]-3-methyl-5-piperidin-1-ylpyrimidin-3-ium-2,4-dione Traditional Name: 3-amino-1-(2-bromo-5-fluoro-benzyl)-3-methyl-5-piperidino-pyrimidin-3-ium-2,4-quinone Formula: C17H21BrFN4O2+ MolecularWeight: 412.276643

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C[N+]1(C(=O)C(=CN(C1=O)CC2=C(C=CC(=C2)F)Br)N3CCCCC3)N

Isomeric SMILES

C[N+]1(C(=O)C(=CN(C1=O)CC2=C(C=CC(=C2)F)Br)N3CCCCC3)N

InChI

InChI=1S/C17H21BrFN4O2/c1-23(20)16(24)15(21-7-3-2-4-8-21)11-22(17(23)25)10-12-9-13(19)5-6-14(12)18/h5-6,9,11H,2-4,7-8,10,20H2,1H3/q+1