2-[(4-nitrophenyl)methyl]phthalazin-2-ium bromide

Systemtic Name: 2-[(4-nitrophenyl)methyl]phthalazin-2-ium bromide Openeye Name: 2-[(4-nitrophenyl)methyl]phthalazin-2-ium bromide CAS Name: 2-[(4-nitrophenyl)methyl]phthalazin-2-ium bromide IUPAC Name: 2-[(4-nitrophenyl)methyl]phthalazin-2-ium bromide Traditional Name: 2-(4-nitrobenzyl)phthalazin-2-ium bromide Formula: C15H12BrN3O2 MolecularWeight: 346.17868

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C=[N+](N=CC2=C1)CC3=CC=C(C=C3)[N+](=O)[O-].[Br-]

Isomeric SMILES

C1=CC=C2C=[N+](N=CC2=C1)CC3=CC=C(C=C3)[N+](=O)[O-].[Br-]

InChI

InChI=1S/C15H12N3O2.BrH/c19-18(20)15-7-5-12(6-8-15)10-17-11-14-4-2-1-3-13(14)9-16-17;/h1-9,11H,10H2;1H/q+1;/p-1