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

Systemtic Name: 6-(2-chlorophenyl)-2-[3-[(3-oxidanylazetidin-1-ium-1-yl)methyl]phenyl]-1H-pyrimidin-4-one Openeye Name: 6-(2-chlorophenyl)-2-[3-[(3-hydroxyazetidin-1-ium-1-yl)methyl]phenyl]-1H-pyrimidin-4-one CAS Name: 6-(2-chlorophenyl)-2-[3-[(3-hydroxy-1-azetidin-1-iumyl)methyl]phenyl]-1H-pyrimidin-4-one IUPAC Name: 6-(2-chlorophenyl)-2-[3-[(3-hydroxyazetidin-1-ium-1-yl)methyl]phenyl]-1H-pyrimidin-4-one Traditional Name: 6-(2-chlorophenyl)-2-[3-[(3-hydroxyazetidin-1-ium-1-yl)methyl]phenyl]-1H-pyrimidin-4-one Formula: C20H19ClN3O2+ MolecularWeight: 368.83676

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Descriptors Computed from Structure

Canonical SMILES:

C1C(C[NH+]1CC2=CC=CC(=C2)C3=NC(=O)C=C(N3)C4=CC=CC=C4Cl)O

Isomeric SMILES

C1C(C[NH+]1CC2=CC=CC(=C2)C3=NC(=O)C=C(N3)C4=CC=CC=C4Cl)O

InChI

InChI=1S/C20H18ClN3O2/c21-17-7-2-1-6-16(17)18-9-19(26)23-20(22-18)14-5-3-4-13(8-14)10-24-11-15(25)12-24/h1-9,15,25H,10-12H2,(H,22,23,26)/p+1