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

Systemtic Name: 6-(4-hydroxyphenyl)-2-[3-[[(3S)-3-oxidanylpiperidin-1-ium-1-yl]methyl]phenyl]-1H-pyrimidin-4-one Openeye Name: 6-(4-hydroxyphenyl)-2-[3-[[(3S)-3-hydroxypiperidin-1-ium-1-yl]methyl]phenyl]-1H-pyrimidin-4-one CAS Name: 6-(4-hydroxyphenyl)-2-[3-[[(3S)-3-hydroxy-1-piperidin-1-iumyl]methyl]phenyl]-1H-pyrimidin-4-one IUPAC Name: 6-(4-hydroxyphenyl)-2-[3-[[(3S)-3-hydroxypiperidin-1-ium-1-yl]methyl]phenyl]-1H-pyrimidin-4-one Traditional Name: 6-(4-hydroxyphenyl)-2-[3-[[(3S)-3-hydroxypiperidin-1-ium-1-yl]methyl]phenyl]-1H-pyrimidin-4-one Formula: C22H24N3O3+ MolecularWeight: 378.44426

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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=C(C=C4)O)O

Isomeric SMILES

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

InChI

InChI=1S/C22H23N3O3/c26-18-8-6-16(7-9-18)20-12-21(28)24-22(23-20)17-4-1-3-15(11-17)13-25-10-2-5-19(27)14-25/h1,3-4,6-9,11-12,19,26-27H,2,5,10,13-14H2,(H,23,24,28)/p+1/t19-/m0/s1