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

Systemtic Name: 2-[4-[[(3S)-3-oxidanylpiperidin-1-ium-1-yl]methyl]phenyl]-6-(phenoxymethyl)-1H-pyrimidin-4-one Openeye Name: 2-[4-[[(3S)-3-hydroxypiperidin-1-ium-1-yl]methyl]phenyl]-6-(phenoxymethyl)-1H-pyrimidin-4-one CAS Name: 2-[4-[[(3S)-3-hydroxy-1-piperidin-1-iumyl]methyl]phenyl]-6-(phenoxymethyl)-1H-pyrimidin-4-one IUPAC Name: 2-[4-[[(3S)-3-hydroxypiperidin-1-ium-1-yl]methyl]phenyl]-6-(phenoxymethyl)-1H-pyrimidin-4-one Traditional Name: 2-[4-[[(3S)-3-hydroxypiperidin-1-ium-1-yl]methyl]phenyl]-6-(phenoxymethyl)-1H-pyrimidin-4-one Formula: C23H26N3O3+ MolecularWeight: 392.47084

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(C[NH+](C1)CC2=CC=C(C=C2)C3=NC(=O)C=C(N3)COC4=CC=CC=C4)O

Isomeric SMILES

C1C[C@@H](C[NH+](C1)CC2=CC=C(C=C2)C3=NC(=O)C=C(N3)COC4=CC=CC=C4)O

InChI

InChI=1S/C23H25N3O3/c27-20-5-4-12-26(15-20)14-17-8-10-18(11-9-17)23-24-19(13-22(28)25-23)16-29-21-6-2-1-3-7-21/h1-3,6-11,13,20,27H,4-5,12,14-16H2,(H,24,25,28)/p+1/t20-/m0/s1