6-[3-(1H-imidazol-3-ium-3-yl)propoxy]-1,3-benzodioxol-5-amine chloride

Systemtic Name: 6-[3-(1H-imidazol-3-ium-3-yl)propoxy]-1,3-benzodioxol-5-amine chloride Openeye Name: 6-[3-(1H-imidazol-3-ium-3-yl)propoxy]-1,3-benzodioxol-5-amine chloride CAS Name: 6-[3-(1H-imidazol-3-ium-3-yl)propoxy]-1,3-benzodioxol-5-amine chloride IUPAC Name: 6-[3-(1H-imidazol-3-ium-3-yl)propoxy]-1,3-benzodioxol-5-amine chloride Traditional Name: [6-[3-(1H-imidazol-3-ium-3-yl)propoxy]-1,3-benzodioxol-5-yl]amine chloride Formula: C13H16ClN3O3 MolecularWeight: 297.73744

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C(=C2)N)OCCC[N+]3=CNC=C3.[Cl-]

Isomeric SMILES

C1OC2=C(O1)C=C(C(=C2)N)OCCC[N+]3=CNC=C3.[Cl-]

InChI

InChI=1S/C13H15N3O3.ClH/c14-10-6-12-13(19-9-18-12)7-11(10)17-5-1-3-16-4-2-15-8-16;/h2,4,6-8H,1,3,5,9,14H2;1H