4-[6-azanyl-3-(2,4-dichlorophenyl)pyridazin-1-ium-1-yl]butanoic acid

Systemtic Name: 4-[6-azanyl-3-(2,4-dichlorophenyl)pyridazin-1-ium-1-yl]butanoic acid Openeye Name: 4-[6-amino-3-(2,4-dichlorophenyl)pyridazin-1-ium-1-yl]butanoic acid CAS Name: 4-[6-amino-3-(2,4-dichlorophenyl)-1-pyridazin-1-iumyl]butanoic acid IUPAC Name: 4-[6-amino-3-(2,4-dichlorophenyl)pyridazin-1-ium-1-yl]butanoic acid Traditional Name: 4-[6-amino-3-(2,4-dichlorophenyl)pyridazin-1-ium-1-yl]butyric acid Formula: C14H14Cl2N3O2+ MolecularWeight: 327.18586

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1Cl)Cl)C2=N[N+](=C(C=C2)N)CCCC(=O)O

Isomeric SMILES

C1=CC(=C(C=C1Cl)Cl)C2=N[N+](=C(C=C2)N)CCCC(=O)O

InChI

InChI=1S/C14H13Cl2N3O2/c15-9-3-4-10(11(16)8-9)12-5-6-13(17)19(18-12)7-1-2-14(20)21/h3-6,8,17H,1-2,7H2,(H,20,21)/p+1