2-(6-oxidanylidene-3-thiophen-2-yl-3H-pyridazin-1-ium-1-yl)propanoic acid

Systemtic Name: 2-(6-oxidanylidene-3-thiophen-2-yl-3H-pyridazin-1-ium-1-yl)propanoic acid Openeye Name: 2-[6-oxo-3-(2-thienyl)-3H-pyridazin-1-ium-1-yl]propanoic acid CAS Name: 2-(6-oxo-3-thiophen-2-yl-3H-pyridazin-1-ium-1-yl)propanoic acid IUPAC Name: 2-(6-oxo-3-thiophen-2-yl-3H-pyridazin-1-ium-1-yl)propanoic acid Traditional Name: 2-[6-keto-3-(2-thienyl)-3H-pyridazin-1-ium-1-yl]propionic acid Formula: C11H11N2O3S+ MolecularWeight: 251.28164

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)O)[N+]1=NC(C=CC1=O)C2=CC=CS2

Isomeric SMILES

CC(C(=O)O)[N+]1=NC(C=CC1=O)C2=CC=CS2

InChI

InChI=1S/C11H10N2O3S/c1-7(11(15)16)13-10(14)5-4-8(12-13)9-3-2-6-17-9/h2-8H,1H3/p+1