bis(azanyl)methylidene-[[4-oxidanylidene-3-(phenylmethyl)phthalazin-1-yl]methyl]azanium

Systemtic Name: bis(azanyl)methylidene-[[4-oxidanylidene-3-(phenylmethyl)phthalazin-1-yl]methyl]azanium Openeye Name: (3-benzyl-4-oxo-phthalazin-1-yl)methyl-(diaminomethylene)ammonium CAS Name: diaminomethylidene-[[4-oxo-3-(phenylmethyl)-1-phthalazinyl]methyl]ammonium IUPAC Name: (3-benzyl-4-oxophthalazin-1-yl)methyl-(diaminomethylidene)azanium Traditional Name: (3-benzyl-4-keto-phthalazin-1-yl)methyl-(diaminomethylene)ammonium Formula: C17H18N5O+ MolecularWeight: 308.35772

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CN2C(=O)C3=CC=CC=C3C(=N2)C[NH+]=C(N)N

Isomeric SMILES

C1=CC=C(C=C1)CN2C(=O)C3=CC=CC=C3C(=N2)C[NH+]=C(N)N

InChI

InChI=1S/C17H17N5O/c18-17(19)20-10-15-13-8-4-5-9-14(13)16(23)22(21-15)11-12-6-2-1-3-7-12/h1-9H,10-11H2,(H4,18,19,20)/p+1