2-(3-fluorophenyl)-6-[(3S)-piperidin-1-ium-3-yl]-1H-pyrimidin-4-one

Systemtic Name: 2-(3-fluorophenyl)-6-[(3S)-piperidin-1-ium-3-yl]-1H-pyrimidin-4-one Openeye Name: 2-(3-fluorophenyl)-6-[(3S)-piperidin-1-ium-3-yl]-1H-pyrimidin-4-one CAS Name: 2-(3-fluorophenyl)-6-[(3S)-3-piperidin-1-iumyl]-1H-pyrimidin-4-one IUPAC Name: 2-(3-fluorophenyl)-6-[(3S)-piperidin-1-ium-3-yl]-1H-pyrimidin-4-one Traditional Name: 2-(3-fluorophenyl)-6-[(3S)-piperidin-1-ium-3-yl]-1H-pyrimidin-4-one Formula: C15H17FN3O+ MolecularWeight: 274.313383

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(C[NH2+]C1)C2=CC(=O)N=C(N2)C3=CC(=CC=C3)F

Isomeric SMILES

C1C[C@@H](C[NH2+]C1)C2=CC(=O)N=C(N2)C3=CC(=CC=C3)F

InChI

InChI=1S/C15H16FN3O/c16-12-5-1-3-10(7-12)15-18-13(8-14(20)19-15)11-4-2-6-17-9-11/h1,3,5,7-8,11,17H,2,4,6,9H2,(H,18,19,20)/p+1/t11-/m0/s1