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

Systemtic Name: methyl-[[3-(4-oxidanylidene-6-phenyl-1H-pyrimidin-2-yl)phenyl]methyl]-(2-pyrazol-1-ylethyl)azanium Openeye Name: methyl-[[3-(4-oxo-6-phenyl-1H-pyrimidin-2-yl)phenyl]methyl]-(2-pyrazol-1-ylethyl)ammonium CAS Name: methyl-[[3-(4-oxo-6-phenyl-1H-pyrimidin-2-yl)phenyl]methyl]-[2-(1-pyrazolyl)ethyl]ammonium IUPAC Name: methyl-[[3-(4-oxo-6-phenyl-1H-pyrimidin-2-yl)phenyl]methyl]-(2-pyrazol-1-ylethyl)azanium Traditional Name: [3-(4-keto-6-phenyl-1H-pyrimidin-2-yl)benzyl]-methyl-(2-pyrazol-1-ylethyl)ammonium Formula: C23H24N5O+ MolecularWeight: 386.46956

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](CCN1C=CC=N1)CC2=CC=CC(=C2)C3=NC(=O)C=C(N3)C4=CC=CC=C4

Isomeric SMILES

C[NH+](CCN1C=CC=N1)CC2=CC=CC(=C2)C3=NC(=O)C=C(N3)C4=CC=CC=C4

InChI

InChI=1S/C23H23N5O/c1-27(13-14-28-12-6-11-24-28)17-18-7-5-10-20(15-18)23-25-21(16-22(29)26-23)19-8-3-2-4-9-19/h2-12,15-16H,13-14,17H2,1H3,(H,25,26,29)/p+1