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

Systemtic Name: 6-(2-methyl-1,3-thiazol-4-yl)-2-[4-[[(3R)-3-oxidanylpyrrolidin-1-ium-1-yl]methyl]phenyl]-1H-pyrimidin-4-one Openeye Name: 2-[4-[[(3R)-3-hydroxypyrrolidin-1-ium-1-yl]methyl]phenyl]-6-(2-methylthiazol-4-yl)-1H-pyrimidin-4-one CAS Name: 2-[4-[[(3R)-3-hydroxy-1-pyrrolidin-1-iumyl]methyl]phenyl]-6-(2-methyl-4-thiazolyl)-1H-pyrimidin-4-one IUPAC Name: 2-[4-[[(3R)-3-hydroxypyrrolidin-1-ium-1-yl]methyl]phenyl]-6-(2-methyl-1,3-thiazol-4-yl)-1H-pyrimidin-4-one Traditional Name: 2-[4-[[(3R)-3-hydroxypyrrolidin-1-ium-1-yl]methyl]phenyl]-6-(2-methylthiazol-4-yl)-1H-pyrimidin-4-one Formula: C19H21N4O2S+ MolecularWeight: 369.46064

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=CS1)C2=CC(=O)N=C(N2)C3=CC=C(C=C3)C[NH+]4CCC(C4)O

Isomeric SMILES

CC1=NC(=CS1)C2=CC(=O)N=C(N2)C3=CC=C(C=C3)C[NH+]4CC[C@H](C4)O

InChI

InChI=1S/C19H20N4O2S/c1-12-20-17(11-26-12)16-8-18(25)22-19(21-16)14-4-2-13(3-5-14)9-23-7-6-15(24)10-23/h2-5,8,11,15,24H,6-7,9-10H2,1H3,(H,21,22,25)/p+1/t15-/m1/s1