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

Systemtic Name: 6-(4-methoxyphenyl)-2-[4-[(3-oxidanylazetidin-1-ium-1-yl)methyl]phenyl]-1H-pyrimidin-4-one Openeye Name: 2-[4-[(3-hydroxyazetidin-1-ium-1-yl)methyl]phenyl]-6-(4-methoxyphenyl)-1H-pyrimidin-4-one CAS Name: 2-[4-[(3-hydroxy-1-azetidin-1-iumyl)methyl]phenyl]-6-(4-methoxyphenyl)-1H-pyrimidin-4-one IUPAC Name: 2-[4-[(3-hydroxyazetidin-1-ium-1-yl)methyl]phenyl]-6-(4-methoxyphenyl)-1H-pyrimidin-4-one Traditional Name: 2-[4-[(3-hydroxyazetidin-1-ium-1-yl)methyl]phenyl]-6-(4-methoxyphenyl)-1H-pyrimidin-4-one Formula: C21H22N3O3+ MolecularWeight: 364.41768

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2=CC(=O)N=C(N2)C3=CC=C(C=C3)C[NH+]4CC(C4)O

Isomeric SMILES

COC1=CC=C(C=C1)C2=CC(=O)N=C(N2)C3=CC=C(C=C3)C[NH+]4CC(C4)O

InChI

InChI=1S/C21H21N3O3/c1-27-18-8-6-15(7-9-18)19-10-20(26)23-21(22-19)16-4-2-14(3-5-16)11-24-12-17(25)13-24/h2-10,17,25H,11-13H2,1H3,(H,22,23,26)/p+1