(5-azanyl-6-oxidanylidene-1-phenyl-pyridazin-4-ylidene)-bis(2-methylpropyl)azanium

Systemtic Name: (5-azanyl-6-oxidanylidene-1-phenyl-pyridazin-4-ylidene)-bis(2-methylpropyl)azanium Openeye Name: (5-amino-6-oxo-1-phenyl-pyridazin-4-ylidene)-diisobutyl-ammonium CAS Name: (5-amino-6-oxo-1-phenyl-4-pyridazinylidene)-bis(2-methylpropyl)ammonium IUPAC Name: (5-amino-6-oxo-1-phenylpyridazin-4-ylidene)-bis(2-methylpropyl)azanium Traditional Name: (5-amino-6-keto-1-phenyl-pyridazin-4-ylidene)-diisobutyl-ammonium Formula: C18H27N4O+ MolecularWeight: 315.43318

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)C[N+](=C1C=NN(C(=O)C1N)C2=CC=CC=C2)CC(C)C

Isomeric SMILES

CC(C)C[N+](=C1C=NN(C(=O)C1N)C2=CC=CC=C2)CC(C)C

InChI

InChI=1S/C18H27N4O/c1-13(2)11-21(12-14(3)4)16-10-20-22(18(23)17(16)19)15-8-6-5-7-9-15/h5-10,13-14,17H,11-12,19H2,1-4H3/q+1