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

Systemtic Name: 6-(aminomethyl)-2-[4-[[(3R)-3-oxidanylpyrrolidin-1-ium-1-yl]methyl]phenyl]-1H-pyrimidin-4-one Openeye Name: 6-(aminomethyl)-2-[4-[[(3R)-3-hydroxypyrrolidin-1-ium-1-yl]methyl]phenyl]-1H-pyrimidin-4-one CAS Name: 6-(aminomethyl)-2-[4-[[(3R)-3-hydroxy-1-pyrrolidin-1-iumyl]methyl]phenyl]-1H-pyrimidin-4-one IUPAC Name: 6-(aminomethyl)-2-[4-[[(3R)-3-hydroxypyrrolidin-1-ium-1-yl]methyl]phenyl]-1H-pyrimidin-4-one Traditional Name: 6-(aminomethyl)-2-[4-[[(3R)-3-hydroxypyrrolidin-1-ium-1-yl]methyl]phenyl]-1H-pyrimidin-4-one Formula: C16H21N4O2+ MolecularWeight: 301.36354

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H20N4O2/c17-8-13-7-15(22)19-16(18-13)12-3-1-11(2-4-12)9-20-6-5-14(21)10-20/h1-4,7,14,21H,5-6,8-10,17H2,(H,18,19,22)/p+1/t14-/m1/s1