6-(2-azaniumylethyl)-2-[3-[[2-methoxyethyl(propyl)azaniumyl]methyl]phenyl]pyrimidin-4-olate

Systemtic Name: 6-(2-azaniumylethyl)-2-[3-[[2-methoxyethyl(propyl)azaniumyl]methyl]phenyl]pyrimidin-4-olate Openeye Name: 6-(2-azaniumylethyl)-2-[3-[[2-methoxyethyl(propyl)ammonio]methyl]phenyl]pyrimidin-4-olate CAS Name: 6-(2-ammonioethyl)-2-[3-[[2-methoxyethyl(propyl)ammonio]methyl]phenyl]-4-pyrimidinolate IUPAC Name: 6-(2-azaniumylethyl)-2-[3-[[2-methoxyethyl(propyl)azaniumyl]methyl]phenyl]pyrimidin-4-olate Traditional Name: 6-(2-ammonioethyl)-2-[3-[[2-methoxyethyl(propyl)ammonio]methyl]phenyl]pyrimidin-4-olate Formula: C19H29N4O2+ MolecularWeight: 345.45916

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Descriptors Computed from Structure

Canonical SMILES:

CCC[NH+](CCOC)CC1=CC=CC(=C1)C2=NC(=CC(=N2)[O-])CC[NH3+]

Isomeric SMILES

CCC[NH+](CCOC)CC1=CC=CC(=C1)C2=NC(=CC(=N2)[O-])CC[NH3+]

InChI

InChI=1S/C19H28N4O2/c1-3-9-23(10-11-25-2)14-15-5-4-6-16(12-15)19-21-17(7-8-20)13-18(24)22-19/h4-6,12-13H,3,7-11,14,20H2,1-2H3,(H,21,22,24)/p+1