6-(2-azaniumylethyl)-2-[3-[[methyl(1H-pyrazol-5-ylmethyl)azaniumyl]methyl]phenyl]pyrimidin-4-olate

Systemtic Name: 6-(2-azaniumylethyl)-2-[3-[[methyl(1H-pyrazol-5-ylmethyl)azaniumyl]methyl]phenyl]pyrimidin-4-olate Openeye Name: 6-(2-azaniumylethyl)-2-[3-[[methyl(1H-pyrazol-5-ylmethyl)ammonio]methyl]phenyl]pyrimidin-4-olate CAS Name: 6-(2-ammonioethyl)-2-[3-[[methyl(1H-pyrazol-5-ylmethyl)ammonio]methyl]phenyl]-4-pyrimidinolate IUPAC Name: 6-(2-azaniumylethyl)-2-[3-[[methyl(1H-pyrazol-5-ylmethyl)azaniumyl]methyl]phenyl]pyrimidin-4-olate Traditional Name: 6-(2-ammonioethyl)-2-[3-[[methyl(1H-pyrazol-5-ylmethyl)ammonio]methyl]phenyl]pyrimidin-4-olate Formula: C18H23N6O+ MolecularWeight: 339.41482

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](CC1=CC=CC(=C1)C2=NC(=CC(=N2)[O-])CC[NH3+])CC3=CC=NN3

Isomeric SMILES

C[NH+](CC1=CC=CC(=C1)C2=NC(=CC(=N2)[O-])CC[NH3+])CC3=CC=NN3

InChI

InChI=1S/C18H22N6O/c1-24(12-16-6-8-20-23-16)11-13-3-2-4-14(9-13)18-21-15(5-7-19)10-17(25)22-18/h2-4,6,8-10H,5,7,11-12,19H2,1H3,(H,20,23)(H,21,22,25)/p+1