6-(2,5-dimethylfuran-3-yl)-2-[3-[(3-oxidanylazetidin-1-ium-1-yl)methyl]phenyl]-1H-pyrimidin-4-one

Systemtic Name: 6-(2,5-dimethylfuran-3-yl)-2-[3-[(3-oxidanylazetidin-1-ium-1-yl)methyl]phenyl]-1H-pyrimidin-4-one Openeye Name: 6-(2,5-dimethyl-3-furyl)-2-[3-[(3-hydroxyazetidin-1-ium-1-yl)methyl]phenyl]-1H-pyrimidin-4-one CAS Name: 6-(2,5-dimethyl-3-furanyl)-2-[3-[(3-hydroxy-1-azetidin-1-iumyl)methyl]phenyl]-1H-pyrimidin-4-one IUPAC Name: 6-(2,5-dimethylfuran-3-yl)-2-[3-[(3-hydroxyazetidin-1-ium-1-yl)methyl]phenyl]-1H-pyrimidin-4-one Traditional Name: 6-(2,5-dimethyl-3-furyl)-2-[3-[(3-hydroxyazetidin-1-ium-1-yl)methyl]phenyl]-1H-pyrimidin-4-one Formula: C20H22N3O3+ MolecularWeight: 352.40698

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(O1)C)C2=CC(=O)N=C(N2)C3=CC(=CC=C3)C[NH+]4CC(C4)O

Isomeric SMILES

CC1=CC(=C(O1)C)C2=CC(=O)N=C(N2)C3=CC(=CC=C3)C[NH+]4CC(C4)O

InChI

InChI=1S/C20H21N3O3/c1-12-6-17(13(2)26-12)18-8-19(25)22-20(21-18)15-5-3-4-14(7-15)9-23-10-16(24)11-23/h3-8,16,24H,9-11H2,1-2H3,(H,21,22,25)/p+1