1-[(3-fluoranylpyridin-4-yl)methyl]-4-pyrimidin-2-yl-1,4-diazepan-1-ium

Systemtic Name: 1-[(3-fluoranylpyridin-4-yl)methyl]-4-pyrimidin-2-yl-1,4-diazepan-1-ium Openeye Name: 1-[(3-fluoro-4-pyridyl)methyl]-4-pyrimidin-2-yl-1,4-diazepan-1-ium CAS Name: 1-[(3-fluoro-4-pyridinyl)methyl]-4-(2-pyrimidinyl)-1,4-diazepan-1-ium IUPAC Name: 1-[(3-fluoropyridin-4-yl)methyl]-4-pyrimidin-2-yl-1,4-diazepan-1-ium Traditional Name: 1-[(3-fluoro-4-pyridyl)methyl]-4-(2-pyrimidyl)-1,4-diazepan-1-ium Formula: C15H19FN5+ MolecularWeight: 288.343263

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CCN(C1)C2=NC=CC=N2)CC3=C(C=NC=C3)F

Isomeric SMILES

C1C[NH+](CCN(C1)C2=NC=CC=N2)CC3=C(C=NC=C3)F

InChI

InChI=1S/C15H18FN5/c16-14-11-17-6-3-13(14)12-20-7-2-8-21(10-9-20)15-18-4-1-5-19-15/h1,3-6,11H,2,7-10,12H2/p+1