2-(2-methylpropyl)-3-oxidanylidene-5,6-diphenyl-4H-pyridazin-2-ium-4-carboxylic acid

Systemtic Name: 2-(2-methylpropyl)-3-oxidanylidene-5,6-diphenyl-4H-pyridazin-2-ium-4-carboxylic acid Openeye Name: 2-isobutyl-3-oxo-5,6-diphenyl-4H-pyridazin-2-ium-4-carboxylic acid CAS Name: 2-(2-methylpropyl)-3-oxo-5,6-diphenyl-4H-pyridazin-2-ium-4-carboxylic acid IUPAC Name: 2-(2-methylpropyl)-3-oxo-5,6-diphenyl-4H-pyridazin-2-ium-4-carboxylic acid Traditional Name: 2-isobutyl-3-keto-5,6-diphenyl-4H-pyridazin-2-ium-4-carboxylic acid Formula: C21H21N2O3+ MolecularWeight: 349.40304

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C[N+]1=NC(=C(C(C1=O)C(=O)O)C2=CC=CC=C2)C3=CC=CC=C3

Isomeric SMILES

CC(C)C[N+]1=NC(=C(C(C1=O)C(=O)O)C2=CC=CC=C2)C3=CC=CC=C3

InChI

InChI=1S/C21H20N2O3/c1-14(2)13-23-20(24)18(21(25)26)17(15-9-5-3-6-10-15)19(22-23)16-11-7-4-8-12-16/h3-12,14,18H,13H2,1-2H3/p+1