6-[(2R)-oxolan-2-yl]-2-[4-[(3-pyrazol-1-ylazetidin-1-ium-1-yl)methyl]phenyl]-1H-pyrimidin-4-one

Systemtic Name: 6-[(2R)-oxolan-2-yl]-2-[4-[(3-pyrazol-1-ylazetidin-1-ium-1-yl)methyl]phenyl]-1H-pyrimidin-4-one Openeye Name: 2-[4-[(3-pyrazol-1-ylazetidin-1-ium-1-yl)methyl]phenyl]-6-[(2R)-tetrahydrofuran-2-yl]-1H-pyrimidin-4-one CAS Name: 6-[(2R)-2-oxolanyl]-2-[4-[[3-(1-pyrazolyl)-1-azetidin-1-iumyl]methyl]phenyl]-1H-pyrimidin-4-one IUPAC Name: 6-[(2R)-oxolan-2-yl]-2-[4-[(3-pyrazol-1-ylazetidin-1-ium-1-yl)methyl]phenyl]-1H-pyrimidin-4-one Traditional Name: 2-[4-[(3-pyrazol-1-ylazetidin-1-ium-1-yl)methyl]phenyl]-6-[(2R)-tetrahydrofuran-2-yl]-1H-pyrimidin-4-one Formula: C21H24N5O2+ MolecularWeight: 378.44756

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(OC1)C2=CC(=O)N=C(N2)C3=CC=C(C=C3)C[NH+]4CC(C4)N5C=CC=N5

Isomeric SMILES

C1C[C@@H](OC1)C2=CC(=O)N=C(N2)C3=CC=C(C=C3)C[NH+]4CC(C4)N5C=CC=N5

InChI

InChI=1S/C21H23N5O2/c27-20-11-18(19-3-1-10-28-19)23-21(24-20)16-6-4-15(5-7-16)12-25-13-17(14-25)26-9-2-8-22-26/h2,4-9,11,17,19H,1,3,10,12-14H2,(H,23,24,27)/p+1/t19-/m1/s1