6-(hydroxymethyl)-3-oxidanyl-2-[(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)methyl]pyran-4-one

Systemtic Name: 6-(hydroxymethyl)-3-oxidanyl-2-[(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)methyl]pyran-4-one Openeye Name: 3-hydroxy-6-(hydroxymethyl)-2-[(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)methyl]pyran-4-one CAS Name: 3-hydroxy-6-(hydroxymethyl)-2-[[4-(2-pyrimidinyl)-1-piperazin-1-iumyl]methyl]-4-pyranone IUPAC Name: 3-hydroxy-6-(hydroxymethyl)-2-[(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)methyl]pyran-4-one Traditional Name: 3-hydroxy-6-methylol-2-[[4-(2-pyrimidyl)piperazin-1-ium-1-yl]methyl]pyran-4-one Formula: C15H19N4O4+ MolecularWeight: 319.33576

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=C(C(=O)C=C(O2)CO)O)C3=NC=CC=N3

Isomeric SMILES

C1CN(CC[NH+]1CC2=C(C(=O)C=C(O2)CO)O)C3=NC=CC=N3

InChI

InChI=1S/C15H18N4O4/c20-10-11-8-12(21)14(22)13(23-11)9-18-4-6-19(7-5-18)15-16-2-1-3-17-15/h1-3,8,20,22H,4-7,9-10H2/p+1