methyl-[[4-(4-oxidanylidene-6-phenyl-1H-pyrimidin-2-yl)phenyl]methyl]-(1H-pyrazol-5-ylmethyl)azanium

Systemtic Name: methyl-[[4-(4-oxidanylidene-6-phenyl-1H-pyrimidin-2-yl)phenyl]methyl]-(1H-pyrazol-5-ylmethyl)azanium Openeye Name: methyl-[[4-(4-oxo-6-phenyl-1H-pyrimidin-2-yl)phenyl]methyl]-(1H-pyrazol-5-ylmethyl)ammonium CAS Name: methyl-[[4-(4-oxo-6-phenyl-1H-pyrimidin-2-yl)phenyl]methyl]-(1H-pyrazol-5-ylmethyl)ammonium IUPAC Name: methyl-[[4-(4-oxo-6-phenyl-1H-pyrimidin-2-yl)phenyl]methyl]-(1H-pyrazol-5-ylmethyl)azanium Traditional Name: [4-(4-keto-6-phenyl-1H-pyrimidin-2-yl)benzyl]-methyl-(1H-pyrazol-5-ylmethyl)ammonium Formula: C22H22N5O+ MolecularWeight: 372.44298

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](CC1=CC=C(C=C1)C2=NC(=O)C=C(N2)C3=CC=CC=C3)CC4=CC=NN4

Isomeric SMILES

C[NH+](CC1=CC=C(C=C1)C2=NC(=O)C=C(N2)C3=CC=CC=C3)CC4=CC=NN4

InChI

InChI=1S/C22H21N5O/c1-27(15-19-11-12-23-26-19)14-16-7-9-18(10-8-16)22-24-20(13-21(28)25-22)17-5-3-2-4-6-17/h2-13H,14-15H2,1H3,(H,23,26)(H,24,25,28)/p+1