2-[6-oxidanylidene-3-(4-propan-2-ylphenyl)-3H-pyridazin-1-ium-1-yl]propanoic acid

Systemtic Name: 2-[6-oxidanylidene-3-(4-propan-2-ylphenyl)-3H-pyridazin-1-ium-1-yl]propanoic acid Openeye Name: 2-[3-(4-isopropylphenyl)-6-oxo-3H-pyridazin-1-ium-1-yl]propanoic acid CAS Name: 2-[6-oxo-3-(4-propan-2-ylphenyl)-3H-pyridazin-1-ium-1-yl]propanoic acid IUPAC Name: 2-[6-oxo-3-(4-propan-2-ylphenyl)-3H-pyridazin-1-ium-1-yl]propanoic acid Traditional Name: 2-(6-keto-3-p-cumenyl-3H-pyridazin-1-ium-1-yl)propionic acid Formula: C16H19N2O3+ MolecularWeight: 287.33366

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC=C(C=C1)C2C=CC(=O)[N+](=N2)C(C)C(=O)O

Isomeric SMILES

CC(C)C1=CC=C(C=C1)C2C=CC(=O)[N+](=N2)C(C)C(=O)O

InChI

InChI=1S/C16H18N2O3/c1-10(2)12-4-6-13(7-5-12)14-8-9-15(19)18(17-14)11(3)16(20)21/h4-11,14H,1-3H3/p+1