4-[4-azanyl-1-(4-chlorophenyl)phthalazin-2-ium-2-yl]butanoic acid bromide

Systemtic Name: 4-[4-azanyl-1-(4-chlorophenyl)phthalazin-2-ium-2-yl]butanoic acid bromide Openeye Name: 4-[4-amino-1-(4-chlorophenyl)phthalazin-2-ium-2-yl]butanoic acid bromide CAS Name: 4-[4-amino-1-(4-chlorophenyl)-2-phthalazin-2-iumyl]butanoic acid bromide IUPAC Name: 4-[4-amino-1-(4-chlorophenyl)phthalazin-2-ium-2-yl]butanoic acid bromide Traditional Name: 4-[4-amino-1-(4-chlorophenyl)phthalazin-2-ium-2-yl]butyric acid bromide Formula: C18H17BrClN3O2 MolecularWeight: 422.70348

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=[N+](N=C2N)CCCC(=O)O)C3=CC=C(C=C3)Cl.[Br-]

Isomeric SMILES

C1=CC=C2C(=C1)C(=[N+](N=C2N)CCCC(=O)O)C3=CC=C(C=C3)Cl.[Br-]

InChI

InChI=1S/C18H16ClN3O2.BrH/c19-13-9-7-12(8-10-13)17-14-4-1-2-5-15(14)18(20)21-22(17)11-3-6-16(23)24;/h1-2,4-5,7-10H,3,6,11H2,(H2-,20,21,23,24);1H