ethyl 5-[1-azanyl-4-(4-methylphenyl)phthalazin-2-ium-2-yl]pentanoate bromide

Systemtic Name: ethyl 5-[1-azanyl-4-(4-methylphenyl)phthalazin-2-ium-2-yl]pentanoate bromide Openeye Name: ethyl 5-[1-amino-4-(p-tolyl)phthalazin-2-ium-2-yl]pentanoate bromide CAS Name: 5-[1-amino-4-(4-methylphenyl)-2-phthalazin-2-iumyl]pentanoic acid ethyl ester bromide IUPAC Name: ethyl 5-[1-amino-4-(4-methylphenyl)phthalazin-2-ium-2-yl]pentanoate bromide Traditional Name: 5-[1-amino-4-(p-tolyl)phthalazin-2-ium-2-yl]valeric acid ethyl ester bromide Formula: C22H26BrN3O2 MolecularWeight: 444.36474

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H25N3O2.BrH/c1-3-27-20(26)10-6-7-15-25-22(23)19-9-5-4-8-18(19)21(24-25)17-13-11-16(2)12-14-17;/h4-5,8-9,11-14,23H,3,6-7,10,15H2,1-2H3;1H