4-[6-azanyl-3-(4-chlorophenyl)-5-methyl-pyridazin-1-ium-1-yl]butanoic acid bromide

Systemtic Name: 4-[6-azanyl-3-(4-chlorophenyl)-5-methyl-pyridazin-1-ium-1-yl]butanoic acid bromide Openeye Name: 4-[6-amino-3-(4-chlorophenyl)-5-methyl-pyridazin-1-ium-1-yl]butanoic acid bromide CAS Name: 4-[6-amino-3-(4-chlorophenyl)-5-methyl-1-pyridazin-1-iumyl]butanoic acid bromide IUPAC Name: 4-[6-amino-3-(4-chlorophenyl)-5-methylpyridazin-1-ium-1-yl]butanoic acid bromide Traditional Name: 4-[6-amino-3-(4-chlorophenyl)-5-methyl-pyridazin-1-ium-1-yl]butyric acid bromide Formula: C15H17BrClN3O2 MolecularWeight: 386.67138

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=N[N+](=C1N)CCCC(=O)O)C2=CC=C(C=C2)Cl.[Br-]

Isomeric SMILES

CC1=CC(=N[N+](=C1N)CCCC(=O)O)C2=CC=C(C=C2)Cl.[Br-]

InChI

InChI=1S/C15H16ClN3O2.BrH/c1-10-9-13(11-4-6-12(16)7-5-11)18-19(15(10)17)8-2-3-14(20)21;/h4-7,9,17H,2-3,8H2,1H3,(H,20,21);1H