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

Systemtic Name: 6-(2-chlorophenyl)-2-[3-[[(3R)-3-oxidanylpiperidin-1-ium-1-yl]methyl]phenyl]-1H-pyrimidin-4-one Openeye Name: 6-(2-chlorophenyl)-2-[3-[[(3R)-3-hydroxypiperidin-1-ium-1-yl]methyl]phenyl]-1H-pyrimidin-4-one CAS Name: 6-(2-chlorophenyl)-2-[3-[[(3R)-3-hydroxy-1-piperidin-1-iumyl]methyl]phenyl]-1H-pyrimidin-4-one IUPAC Name: 6-(2-chlorophenyl)-2-[3-[[(3R)-3-hydroxypiperidin-1-ium-1-yl]methyl]phenyl]-1H-pyrimidin-4-one Traditional Name: 6-(2-chlorophenyl)-2-[3-[[(3R)-3-hydroxypiperidin-1-ium-1-yl]methyl]phenyl]-1H-pyrimidin-4-one Formula: C22H23ClN3O2+ MolecularWeight: 396.88992

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(C[NH+](C1)CC2=CC=CC(=C2)C3=NC(=O)C=C(N3)C4=CC=CC=C4Cl)O

Isomeric SMILES

C1C[C@H](C[NH+](C1)CC2=CC=CC(=C2)C3=NC(=O)C=C(N3)C4=CC=CC=C4Cl)O

InChI

InChI=1S/C22H22ClN3O2/c23-19-9-2-1-8-18(19)20-12-21(28)25-22(24-20)16-6-3-5-15(11-16)13-26-10-4-7-17(27)14-26/h1-3,5-6,8-9,11-12,17,27H,4,7,10,13-14H2,(H,24,25,28)/p+1/t17-/m1/s1