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

Systemtic Name: 2-[3-[[(3R)-3-oxidanylpyrrolidin-1-ium-1-yl]methyl]phenyl]-6-phenethyl-1H-pyrimidin-4-one Openeye Name: 2-[3-[[(3R)-3-hydroxypyrrolidin-1-ium-1-yl]methyl]phenyl]-6-phenethyl-1H-pyrimidin-4-one CAS Name: 2-[3-[[(3R)-3-hydroxy-1-pyrrolidin-1-iumyl]methyl]phenyl]-6-phenethyl-1H-pyrimidin-4-one IUPAC Name: 2-[3-[[(3R)-3-hydroxypyrrolidin-1-ium-1-yl]methyl]phenyl]-6-phenethyl-1H-pyrimidin-4-one Traditional Name: 2-[3-[[(3R)-3-hydroxypyrrolidin-1-ium-1-yl]methyl]phenyl]-6-phenethyl-1H-pyrimidin-4-one Formula: C23H26N3O2+ MolecularWeight: 376.47144

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CC1O)CC2=CC=CC(=C2)C3=NC(=O)C=C(N3)CCC4=CC=CC=C4

Isomeric SMILES

C1C[NH+](C[C@@H]1O)CC2=CC=CC(=C2)C3=NC(=O)C=C(N3)CCC4=CC=CC=C4

InChI

InChI=1S/C23H25N3O2/c27-21-11-12-26(16-21)15-18-7-4-8-19(13-18)23-24-20(14-22(28)25-23)10-9-17-5-2-1-3-6-17/h1-8,13-14,21,27H,9-12,15-16H2,(H,24,25,28)/p+1/t21-/m1/s1