6-(2,5-dimethylfuran-3-yl)-2-[3-[[(3S)-3-oxidanylpyrrolidin-1-ium-1-yl]methyl]phenyl]-1H-pyrimidin-4-one

Systemtic Name: 6-(2,5-dimethylfuran-3-yl)-2-[3-[[(3S)-3-oxidanylpyrrolidin-1-ium-1-yl]methyl]phenyl]-1H-pyrimidin-4-one Openeye Name: 6-(2,5-dimethyl-3-furyl)-2-[3-[[(3S)-3-hydroxypyrrolidin-1-ium-1-yl]methyl]phenyl]-1H-pyrimidin-4-one CAS Name: 6-(2,5-dimethyl-3-furanyl)-2-[3-[[(3S)-3-hydroxy-1-pyrrolidin-1-iumyl]methyl]phenyl]-1H-pyrimidin-4-one IUPAC Name: 6-(2,5-dimethylfuran-3-yl)-2-[3-[[(3S)-3-hydroxypyrrolidin-1-ium-1-yl]methyl]phenyl]-1H-pyrimidin-4-one Traditional Name: 6-(2,5-dimethyl-3-furyl)-2-[3-[[(3S)-3-hydroxypyrrolidin-1-ium-1-yl]methyl]phenyl]-1H-pyrimidin-4-one Formula: C21H24N3O3+ MolecularWeight: 366.43356

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(O1)C)C2=CC(=O)N=C(N2)C3=CC(=CC=C3)C[NH+]4CCC(C4)O

Isomeric SMILES

CC1=CC(=C(O1)C)C2=CC(=O)N=C(N2)C3=CC(=CC=C3)C[NH+]4CC[C@@H](C4)O

InChI

InChI=1S/C21H23N3O3/c1-13-8-18(14(2)27-13)19-10-20(26)23-21(22-19)16-5-3-4-15(9-16)11-24-7-6-17(25)12-24/h3-5,8-10,17,25H,6-7,11-12H2,1-2H3,(H,22,23,26)/p+1/t17-/m0/s1