2-(1,3-benzodioxol-5-yl)-4-butyl-3H-imidazo[1,2-a]benzimidazol-4-ium chloride

Systemtic Name: 2-(1,3-benzodioxol-5-yl)-4-butyl-3H-imidazo[1,2-a]benzimidazol-4-ium chloride Openeye Name: 2-(1,3-benzodioxol-5-yl)-4-butyl-3H-imidazo[1,2-a]benzimidazol-4-ium chloride CAS Name: 2-(1,3-benzodioxol-5-yl)-4-butyl-3H-imidazo[1,2-a]benzimidazol-4-ium chloride IUPAC Name: 2-(1,3-benzodioxol-5-yl)-4-butyl-3H-imidazo[1,2-a]benzimidazol-4-ium chloride Traditional Name: 2-(1,3-benzodioxol-5-yl)-4-butyl-3H-imidazo[1,2-a]benzimidazol-4-ium chloride Formula: C20H20ClN3O2 MolecularWeight: 369.8447

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Descriptors Computed from Structure

Canonical SMILES:

CCCC[N+]1=C2NC(=CN2C3=CC=CC=C31)C4=CC5=C(C=C4)OCO5.[Cl-]

Isomeric SMILES

CCCC[N+]1=C2NC(=CN2C3=CC=CC=C31)C4=CC5=C(C=C4)OCO5.[Cl-]

InChI

InChI=1S/C20H19N3O2.ClH/c1-2-3-10-22-16-6-4-5-7-17(16)23-12-15(21-20(22)23)14-8-9-18-19(11-14)25-13-24-18;/h4-9,11-12H,2-3,10,13H2,1H3;1H