ethyl 4-[1-azanyl-4-(4-methylphenyl)phthalazin-2-ium-2-yl]butanoate bromide

Systemtic Name: ethyl 4-[1-azanyl-4-(4-methylphenyl)phthalazin-2-ium-2-yl]butanoate bromide Openeye Name: ethyl 4-[1-amino-4-(p-tolyl)phthalazin-2-ium-2-yl]butanoate bromide CAS Name: 4-[1-amino-4-(4-methylphenyl)-2-phthalazin-2-iumyl]butanoic acid ethyl ester bromide IUPAC Name: ethyl 4-[1-amino-4-(4-methylphenyl)phthalazin-2-ium-2-yl]butanoate bromide Traditional Name: 4-[1-amino-4-(p-tolyl)phthalazin-2-ium-2-yl]butyric acid ethyl ester bromide Formula: C21H24BrN3O2 MolecularWeight: 430.33816

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CCC[N+]1=C(C2=CC=CC=C2C(=N1)C3=CC=C(C=C3)C)N.[Br-]

Isomeric SMILES

CCOC(=O)CCC[N+]1=C(C2=CC=CC=C2C(=N1)C3=CC=C(C=C3)C)N.[Br-]

InChI

InChI=1S/C21H23N3O2.BrH/c1-3-26-19(25)9-6-14-24-21(22)18-8-5-4-7-17(18)20(23-24)16-12-10-15(2)11-13-16;/h4-5,7-8,10-13,22H,3,6,9,14H2,1-2H3;1H