[4-[6-(2-azaniumylethyl)-4-oxidanylidene-1H-pyrimidin-2-yl]phenyl]methyl-methyl-(3-pyrazol-1-ylpropyl)azanium

Systemtic Name: [4-[6-(2-azaniumylethyl)-4-oxidanylidene-1H-pyrimidin-2-yl]phenyl]methyl-methyl-(3-pyrazol-1-ylpropyl)azanium Openeye Name: [4-[6-(2-azaniumylethyl)-4-oxo-1H-pyrimidin-2-yl]phenyl]methyl-methyl-(3-pyrazol-1-ylpropyl)ammonium CAS Name: [4-[6-(2-ammonioethyl)-4-oxo-1H-pyrimidin-2-yl]phenyl]methyl-methyl-[3-(1-pyrazolyl)propyl]ammonium IUPAC Name: [4-[6-(2-azaniumylethyl)-4-oxo-1H-pyrimidin-2-yl]phenyl]methyl-methyl-(3-pyrazol-1-ylpropyl)azanium Traditional Name: [4-[6-(2-ammonioethyl)-4-keto-1H-pyrimidin-2-yl]benzyl]-methyl-(3-pyrazol-1-ylpropyl)ammonium Formula: C20H28N6O+2 MolecularWeight: 368.47592

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](CCCN1C=CC=N1)CC2=CC=C(C=C2)C3=NC(=O)C=C(N3)CC[NH3+]

Isomeric SMILES

C[NH+](CCCN1C=CC=N1)CC2=CC=C(C=C2)C3=NC(=O)C=C(N3)CC[NH3+]

InChI

InChI=1S/C20H26N6O/c1-25(11-3-13-26-12-2-10-22-26)15-16-4-6-17(7-5-16)20-23-18(8-9-21)14-19(27)24-20/h2,4-7,10,12,14H,3,8-9,11,13,15,21H2,1H3,(H,23,24,27)/p+2