5-butyl-6-methyl-6H-[1,2,3]oxadiazolo[4,3-a]phthalazin-4-ium-1-amine chloride

Systemtic Name: 5-butyl-6-methyl-6H-[1,2,3]oxadiazolo[4,3-a]phthalazin-4-ium-1-amine chloride Openeye Name: 5-butyl-6-methyl-6H-oxadiazolo[4,3-a]phthalazin-4-ium-1-amine chloride CAS Name: 5-butyl-6-methyl-6H-oxadiazolo[4,3-a]phthalazin-4-ium-1-amine chloride IUPAC Name: 5-butyl-6-methyl-6H-oxadiazolo[4,3-a]phthalazin-4-ium-1-amine chloride Traditional Name: (5-butyl-6-methyl-6H-oxadiazolo[4,3-a]phthalazin-4-ium-1-yl)amine chloride Formula: C14H19ClN4O MolecularWeight: 294.77986

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(C2=CC=CC=C2C3=C(ON=[N+]31)N)C.[Cl-]

Isomeric SMILES

CCCCN1C(C2=CC=CC=C2C3=C(ON=[N+]31)N)C.[Cl-]

InChI

InChI=1S/C14H19N4O.ClH/c1-3-4-9-17-10(2)11-7-5-6-8-12(11)13-14(15)19-16-18(13)17;/h5-8,10H,3-4,9,15H2,1-2H3;1H/q+1;/p-1