2-[3-[[(3R)-3-oxidanylpyrrolidin-1-ium-1-yl]methyl]phenyl]-6-(2-pyrazol-1-ylethyl)-1H-pyrimidin-4-one

Systemtic Name: 2-[3-[[(3R)-3-oxidanylpyrrolidin-1-ium-1-yl]methyl]phenyl]-6-(2-pyrazol-1-ylethyl)-1H-pyrimidin-4-one Openeye Name: 2-[3-[[(3R)-3-hydroxypyrrolidin-1-ium-1-yl]methyl]phenyl]-6-(2-pyrazol-1-ylethyl)-1H-pyrimidin-4-one CAS Name: 2-[3-[[(3R)-3-hydroxy-1-pyrrolidin-1-iumyl]methyl]phenyl]-6-[2-(1-pyrazolyl)ethyl]-1H-pyrimidin-4-one IUPAC Name: 2-[3-[[(3R)-3-hydroxypyrrolidin-1-ium-1-yl]methyl]phenyl]-6-(2-pyrazol-1-ylethyl)-1H-pyrimidin-4-one Traditional Name: 2-[3-[[(3R)-3-hydroxypyrrolidin-1-ium-1-yl]methyl]phenyl]-6-(2-pyrazol-1-ylethyl)-1H-pyrimidin-4-one Formula: C20H24N5O2+ MolecularWeight: 366.43686

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CC1O)CC2=CC=CC(=C2)C3=NC(=O)C=C(N3)CCN4C=CC=N4

Isomeric SMILES

C1C[NH+](C[C@@H]1O)CC2=CC=CC(=C2)C3=NC(=O)C=C(N3)CCN4C=CC=N4

InChI

InChI=1S/C20H23N5O2/c26-18-6-9-24(14-18)13-15-3-1-4-16(11-15)20-22-17(12-19(27)23-20)5-10-25-8-2-7-21-25/h1-4,7-8,11-12,18,26H,5-6,9-10,13-14H2,(H,22,23,27)/p+1/t18-/m1/s1