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

Systemtic Name: [2-(6-cyclobutyl-4-oxidanylidene-1H-pyrimidin-2-yl)phenyl]methyl-methyl-(3-pyrazol-1-ylpropyl)azanium Openeye Name: [2-(6-cyclobutyl-4-oxo-1H-pyrimidin-2-yl)phenyl]methyl-methyl-(3-pyrazol-1-ylpropyl)ammonium CAS Name: [2-(6-cyclobutyl-4-oxo-1H-pyrimidin-2-yl)phenyl]methyl-methyl-[3-(1-pyrazolyl)propyl]ammonium IUPAC Name: [2-(6-cyclobutyl-4-oxo-1H-pyrimidin-2-yl)phenyl]methyl-methyl-(3-pyrazol-1-ylpropyl)azanium Traditional Name: [2-(6-cyclobutyl-4-keto-1H-pyrimidin-2-yl)benzyl]-methyl-(3-pyrazol-1-ylpropyl)ammonium Formula: C22H28N5O+ MolecularWeight: 378.49062

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](CCCN1C=CC=N1)CC2=CC=CC=C2C3=NC(=O)C=C(N3)C4CCC4

Isomeric SMILES

C[NH+](CCCN1C=CC=N1)CC2=CC=CC=C2C3=NC(=O)C=C(N3)C4CCC4

InChI

InChI=1S/C22H27N5O/c1-26(12-6-14-27-13-5-11-23-27)16-18-7-2-3-10-19(18)22-24-20(15-21(28)25-22)17-8-4-9-17/h2-3,5,7,10-11,13,15,17H,4,6,8-9,12,14,16H2,1H3,(H,24,25,28)/p+1