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

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

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1=CN(C=C1)CCNC2=CC3=C(C=C2O)OCO3.[Cl-]

Isomeric SMILES

C[N+]1=CN(C=C1)CCNC2=CC3=C(C=C2O)OCO3.[Cl-]

InChI

InChI=1S/C13H15N3O3.ClH/c1-15-4-5-16(8-15)3-2-14-10-6-12-13(7-11(10)17)19-9-18-12;/h4-8,14H,2-3,9H2,1H3;1H