3-[2-oxidanylidene-4-(2-phenylpyrazolo[1,5-a]pyridin-3-yl)pyridazin-2-ium-1-yl]propanoic acid

Systemtic Name: 3-[2-oxidanylidene-4-(2-phenylpyrazolo[1,5-a]pyridin-3-yl)pyridazin-2-ium-1-yl]propanoic acid Openeye Name: 3-[2-oxo-4-(2-phenylpyrazolo[1,5-a]pyridin-3-yl)pyridazin-2-ium-1-yl]propanoic acid CAS Name: 3-[2-oxo-4-(2-phenyl-3-pyrazolo[1,5-a]pyridinyl)-1-pyridazin-2-iumyl]propanoic acid IUPAC Name: 3-[2-oxo-4-(2-phenylpyrazolo[1,5-a]pyridin-3-yl)pyridazin-2-ium-1-yl]propanoic acid Traditional Name: 3-[2-keto-4-(2-phenylpyrazolo[1,5-a]pyridin-3-yl)pyridazin-2-ium-1-yl]propionic acid Formula: C20H17N4O3+ MolecularWeight: 361.37398

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=NN3C=CC=CC3=C2C4=C[N+](=O)N(C=C4)CCC(=O)O

Isomeric SMILES

C1=CC=C(C=C1)C2=NN3C=CC=CC3=C2C4=C[N+](=O)N(C=C4)CCC(=O)O

InChI

InChI=1S/C20H16N4O3/c25-18(26)10-13-22-12-9-16(14-24(22)27)19-17-8-4-5-11-23(17)21-20(19)15-6-2-1-3-7-15/h1-9,11-12,14H,10,13H2/p+1