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

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

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CC1O)CC2=CC=CC(=C2)C3=NC(=O)C=C(N3)COC4=CC=CC=C4

Isomeric SMILES

C1C[NH+](C[C@H]1O)CC2=CC=CC(=C2)C3=NC(=O)C=C(N3)COC4=CC=CC=C4

InChI

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