1-[(4-bromophenyl)methyl]-2-methyl-phthalazin-2-ium iodide

Systemtic Name: 1-[(4-bromophenyl)methyl]-2-methyl-phthalazin-2-ium iodide Openeye Name: 1-[(4-bromophenyl)methyl]-2-methyl-phthalazin-2-ium iodide CAS Name: 1-[(4-bromophenyl)methyl]-2-methylphthalazin-2-ium iodide IUPAC Name: 1-[(4-bromophenyl)methyl]-2-methylphthalazin-2-ium iodide Traditional Name: 1-(4-bromobenzyl)-2-methyl-phthalazin-2-ium iodide Formula: C16H14BrIN2 MolecularWeight: 441.10423

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1=C(C2=CC=CC=C2C=N1)CC3=CC=C(C=C3)Br.[I-]

Isomeric SMILES

C[N+]1=C(C2=CC=CC=C2C=N1)CC3=CC=C(C=C3)Br.[I-]

InChI

InChI=1S/C16H14BrN2.HI/c1-19-16(10-12-6-8-14(17)9-7-12)15-5-3-2-4-13(15)11-18-19;/h2-9,11H,10H2,1H3;1H/q+1;/p-1