2-butyl-1-methyl-phthalazin-2-ium iodide

Systemtic Name: 2-butyl-1-methyl-phthalazin-2-ium iodide Openeye Name: 2-butyl-1-methyl-phthalazin-2-ium iodide CAS Name: 2-butyl-1-methylphthalazin-2-ium iodide IUPAC Name: 2-butyl-1-methylphthalazin-2-ium iodide Traditional Name: 2-butyl-1-methyl-phthalazin-2-ium iodide Formula: C13H17IN2 MolecularWeight: 328.19195

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H17N2.HI/c1-3-4-9-15-11(2)13-8-6-5-7-12(13)10-14-15;/h5-8,10H,3-4,9H2,1-2H3;1H/q+1;/p-1