6-[2-(3-methylimidazol-3-ium-1-yl)ethoxy]-1,3-benzodioxol-5-amine chloride

Systemtic Name: 6-[2-(3-methylimidazol-3-ium-1-yl)ethoxy]-1,3-benzodioxol-5-amine chloride Openeye Name: 6-[2-(3-methylimidazol-3-ium-1-yl)ethoxy]-1,3-benzodioxol-5-amine chloride CAS Name: 6-[2-(3-methyl-1-imidazol-3-iumyl)ethoxy]-1,3-benzodioxol-5-amine chloride IUPAC Name: 6-[2-(3-methylimidazol-3-ium-1-yl)ethoxy]-1,3-benzodioxol-5-amine chloride Traditional Name: [6-[2-(3-methylimidazol-3-ium-1-yl)ethoxy]-1,3-benzodioxol-5-yl]amine chloride Formula: C13H16ClN3O3 MolecularWeight: 297.73744

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1=CN(C=C1)CCOC2=CC3=C(C=C2N)OCO3.[Cl-]

Isomeric SMILES

C[N+]1=CN(C=C1)CCOC2=CC3=C(C=C2N)OCO3.[Cl-]

InChI

InChI=1S/C13H16N3O3.ClH/c1-15-2-3-16(8-15)4-5-17-11-7-13-12(6-10(11)14)18-9-19-13;/h2-3,6-8H,4-5,9,14H2,1H3;1H/q+1;/p-1