methyl-[(1-oxidanylidenephthalazin-2-yl)methyl]-[(1-phenylpyrazol-4-yl)methyl]azanium

Systemtic Name: methyl-[(1-oxidanylidenephthalazin-2-yl)methyl]-[(1-phenylpyrazol-4-yl)methyl]azanium Openeye Name: methyl-[(1-oxophthalazin-2-yl)methyl]-[(1-phenylpyrazol-4-yl)methyl]ammonium CAS Name: methyl-[(1-oxo-2-phthalazinyl)methyl]-[(1-phenyl-4-pyrazolyl)methyl]ammonium IUPAC Name: methyl-[(1-oxophthalazin-2-yl)methyl]-[(1-phenylpyrazol-4-yl)methyl]azanium Traditional Name: (1-ketophthalazin-2-yl)methyl-methyl-[(1-phenylpyrazol-4-yl)methyl]ammonium Formula: C20H20N5O+ MolecularWeight: 346.4057

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](CC1=CN(N=C1)C2=CC=CC=C2)CN3C(=O)C4=CC=CC=C4C=N3

Isomeric SMILES

C[NH+](CC1=CN(N=C1)C2=CC=CC=C2)CN3C(=O)C4=CC=CC=C4C=N3

InChI

InChI=1S/C20H19N5O/c1-23(13-16-11-21-24(14-16)18-8-3-2-4-9-18)15-25-20(26)19-10-6-5-7-17(19)12-22-25/h2-12,14H,13,15H2,1H3/p+1