4-(6-azanyl-3-thiophen-3-yl-pyridazin-1-ium-1-yl)butanoic acid

Systemtic Name: 4-(6-azanyl-3-thiophen-3-yl-pyridazin-1-ium-1-yl)butanoic acid Openeye Name: 4-[6-amino-3-(3-thienyl)pyridazin-1-ium-1-yl]butanoic acid CAS Name: 4-[6-amino-3-(3-thiophenyl)-1-pyridazin-1-iumyl]butanoic acid IUPAC Name: 4-(6-amino-3-thiophen-3-ylpyridazin-1-ium-1-yl)butanoic acid Traditional Name: 4-[6-amino-3-(3-thienyl)pyridazin-1-ium-1-yl]butyric acid Formula: C12H14N3O2S+ MolecularWeight: 264.32346

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=[N+](N=C1C2=CSC=C2)CCCC(=O)O)N

Isomeric SMILES

C1=CC(=[N+](N=C1C2=CSC=C2)CCCC(=O)O)N

InChI

InChI=1S/C12H13N3O2S/c13-11-4-3-10(9-5-7-18-8-9)14-15(11)6-1-2-12(16)17/h3-5,7-8,13H,1-2,6H2,(H,16,17)/p+1