6-[[1-(2-hydroxyethyl)pyridin-1-ium-3-yl]methyl]-5-methyl-3-nitro-1H-pyrazolo[1,5-a]pyrimidin-7-one

Systemtic Name: 6-[[1-(2-hydroxyethyl)pyridin-1-ium-3-yl]methyl]-5-methyl-3-nitro-1H-pyrazolo[1,5-a]pyrimidin-7-one Openeye Name: 6-[[1-(2-hydroxyethyl)pyridin-1-ium-3-yl]methyl]-5-methyl-3-nitro-1H-pyrazolo[1,5-a]pyrimidin-7-one CAS Name: 6-[[1-(2-hydroxyethyl)-3-pyridin-1-iumyl]methyl]-5-methyl-3-nitro-1H-pyrazolo[1,5-a]pyrimidin-7-one IUPAC Name: 6-[[1-(2-hydroxyethyl)pyridin-1-ium-3-yl]methyl]-5-methyl-3-nitro-1H-pyrazolo[1,5-a]pyrimidin-7-one Traditional Name: 6-[[1-(2-hydroxyethyl)pyridin-1-ium-3-yl]methyl]-5-methyl-3-nitro-1H-pyrazolo[1,5-a]pyrimidin-7-one Formula: C15H16N5O4+ MolecularWeight: 330.31864

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)N2C(=N1)C(=CN2)[N+](=O)[O-])CC3=C[N+](=CC=C3)CCO

Isomeric SMILES

CC1=C(C(=O)N2C(=N1)C(=CN2)[N+](=O)[O-])CC3=C[N+](=CC=C3)CCO

InChI

InChI=1S/C15H15N5O4/c1-10-12(7-11-3-2-4-18(9-11)5-6-21)15(22)19-14(17-10)13(8-16-19)20(23)24/h2-4,8-9,21H,5-7H2,1H3/p+1