6-(3-methylpyrazin-2-yl)-2-[3-[[(3S)-3-oxidanylpiperidin-1-ium-1-yl]methyl]phenyl]-1H-pyrimidin-4-one

Systemtic Name: 6-(3-methylpyrazin-2-yl)-2-[3-[[(3S)-3-oxidanylpiperidin-1-ium-1-yl]methyl]phenyl]-1H-pyrimidin-4-one Openeye Name: 2-[3-[[(3S)-3-hydroxypiperidin-1-ium-1-yl]methyl]phenyl]-6-(3-methylpyrazin-2-yl)-1H-pyrimidin-4-one CAS Name: 2-[3-[[(3S)-3-hydroxy-1-piperidin-1-iumyl]methyl]phenyl]-6-(3-methyl-2-pyrazinyl)-1H-pyrimidin-4-one IUPAC Name: 2-[3-[[(3S)-3-hydroxypiperidin-1-ium-1-yl]methyl]phenyl]-6-(3-methylpyrazin-2-yl)-1H-pyrimidin-4-one Traditional Name: 2-[3-[[(3S)-3-hydroxypiperidin-1-ium-1-yl]methyl]phenyl]-6-(3-methylpyrazin-2-yl)-1H-pyrimidin-4-one Formula: C21H24N5O2+ MolecularWeight: 378.44756

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC=CN=C1C2=CC(=O)N=C(N2)C3=CC(=CC=C3)C[NH+]4CCCC(C4)O

Isomeric SMILES

CC1=NC=CN=C1C2=CC(=O)N=C(N2)C3=CC(=CC=C3)C[NH+]4CCC[C@@H](C4)O

InChI

InChI=1S/C21H23N5O2/c1-14-20(23-8-7-22-14)18-11-19(28)25-21(24-18)16-5-2-4-15(10-16)12-26-9-3-6-17(27)13-26/h2,4-5,7-8,10-11,17,27H,3,6,9,12-13H2,1H3,(H,24,25,28)/p+1/t17-/m0/s1