5-[4-azanyl-1-(4-chlorophenyl)phthalazin-2-ium-2-yl]pentanoic acid bromide

Systemtic Name: 5-[4-azanyl-1-(4-chlorophenyl)phthalazin-2-ium-2-yl]pentanoic acid bromide Openeye Name: 5-[4-amino-1-(4-chlorophenyl)phthalazin-2-ium-2-yl]pentanoic acid bromide CAS Name: 5-[4-amino-1-(4-chlorophenyl)-2-phthalazin-2-iumyl]pentanoic acid bromide IUPAC Name: 5-[4-amino-1-(4-chlorophenyl)phthalazin-2-ium-2-yl]pentanoic acid bromide Traditional Name: 5-[4-amino-1-(4-chlorophenyl)phthalazin-2-ium-2-yl]valeric acid bromide Formula: C19H19BrClN3O2 MolecularWeight: 436.73006

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H18ClN3O2.BrH/c20-14-10-8-13(9-11-14)18-15-5-1-2-6-16(15)19(21)22-23(18)12-4-3-7-17(24)25;/h1-2,5-6,8-11H,3-4,7,12H2,(H2-,21,22,24,25);1H