4-(2-hydroxyethyl)-5-methyl-2-[4-(methylamino)pyridin-1-ium-1-yl]-4H-pyrazol-3-one

Systemtic Name: 4-(2-hydroxyethyl)-5-methyl-2-[4-(methylamino)pyridin-1-ium-1-yl]-4H-pyrazol-3-one Openeye Name: 4-(2-hydroxyethyl)-5-methyl-2-[4-(methylamino)pyridin-1-ium-1-yl]-4H-pyrazol-3-one CAS Name: 4-(2-hydroxyethyl)-5-methyl-2-[4-(methylamino)-1-pyridin-1-iumyl]-4H-pyrazol-3-one IUPAC Name: 4-(2-hydroxyethyl)-5-methyl-2-[4-(methylamino)pyridin-1-ium-1-yl]-4H-pyrazol-3-one Traditional Name: 4-(2-hydroxyethyl)-5-methyl-2-[4-(methylamino)pyridin-1-ium-1-yl]-2-pyrazolin-3-one Formula: C12H17N4O2+ MolecularWeight: 249.28898

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=O)C1CCO)[N+]2=CC=C(C=C2)NC

Isomeric SMILES

CC1=NN(C(=O)C1CCO)[N+]2=CC=C(C=C2)NC

InChI

InChI=1S/C12H16N4O2/c1-9-11(5-8-17)12(18)16(14-9)15-6-3-10(13-2)4-7-15/h3-4,6-7,11,17H,5,8H2,1-2H3/p+1