2-[4-(1,4-diazepan-1-ium-1-ylmethyl)phenyl]-6-(4-fluorophenyl)-1H-pyrimidin-4-one

Systemtic Name: 2-[4-(1,4-diazepan-1-ium-1-ylmethyl)phenyl]-6-(4-fluorophenyl)-1H-pyrimidin-4-one Openeye Name: 2-[4-(1,4-diazepan-1-ium-1-ylmethyl)phenyl]-6-(4-fluorophenyl)-1H-pyrimidin-4-one CAS Name: 2-[4-(1,4-diazepan-1-ium-1-ylmethyl)phenyl]-6-(4-fluorophenyl)-1H-pyrimidin-4-one IUPAC Name: 2-[4-(1,4-diazepan-1-ium-1-ylmethyl)phenyl]-6-(4-fluorophenyl)-1H-pyrimidin-4-one Traditional Name: 2-[4-(1,4-diazepan-1-ium-1-ylmethyl)phenyl]-6-(4-fluorophenyl)-1H-pyrimidin-4-one Formula: C22H24FN4O+ MolecularWeight: 379.450563

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Descriptors Computed from Structure

Canonical SMILES:

C1CNCC[NH+](C1)CC2=CC=C(C=C2)C3=NC(=O)C=C(N3)C4=CC=C(C=C4)F

Isomeric SMILES

C1CNCC[NH+](C1)CC2=CC=C(C=C2)C3=NC(=O)C=C(N3)C4=CC=C(C=C4)F

InChI

InChI=1S/C22H23FN4O/c23-19-8-6-17(7-9-19)20-14-21(28)26-22(25-20)18-4-2-16(3-5-18)15-27-12-1-10-24-11-13-27/h2-9,14,24H,1,10-13,15H2,(H,25,26,28)/p+1