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

Systemtic Name: 4-[1-azanyl-4-(4-methylphenyl)phthalazin-2-ium-2-yl]butanoic acid bromide Openeye Name: 4-[1-amino-4-(p-tolyl)phthalazin-2-ium-2-yl]butanoic acid bromide CAS Name: 4-[1-amino-4-(4-methylphenyl)-2-phthalazin-2-iumyl]butanoic acid bromide IUPAC Name: 4-[1-amino-4-(4-methylphenyl)phthalazin-2-ium-2-yl]butanoic acid bromide Traditional Name: 4-[1-amino-4-(p-tolyl)phthalazin-2-ium-2-yl]butyric acid bromide Formula: C19H20BrN3O2 MolecularWeight: 402.285

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=N[N+](=C(C3=CC=CC=C32)N)CCCC(=O)O.[Br-]

Isomeric SMILES

CC1=CC=C(C=C1)C2=N[N+](=C(C3=CC=CC=C32)N)CCCC(=O)O.[Br-]

InChI

InChI=1S/C19H19N3O2.BrH/c1-13-8-10-14(11-9-13)18-15-5-2-3-6-16(15)19(20)22(21-18)12-4-7-17(23)24;/h2-3,5-6,8-11,20H,4,7,12H2,1H3,(H,23,24);1H