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

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

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CC2=N[N+](=C(C3=CC=CC=C32)N)CCCC(=O)O.[Br-]

Isomeric SMILES

C1=CC=C(C=C1)CC2=N[N+](=C(C3=CC=CC=C32)N)CCCC(=O)O.[Br-]

InChI

InChI=1S/C19H19N3O2.BrH/c20-19-16-10-5-4-9-15(16)17(13-14-7-2-1-3-8-14)21-22(19)12-6-11-18(23)24;/h1-5,7-10,20H,6,11-13H2,(H,23,24);1H