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

Systemtic Name: 6-ethoxy-N-[2-(3-methylimidazol-3-ium-1-yl)ethyl]-1,3-benzodioxol-5-amine chloride Openeye Name: 6-ethoxy-N-[2-(3-methylimidazol-3-ium-1-yl)ethyl]-1,3-benzodioxol-5-amine chloride CAS Name: 6-ethoxy-N-[2-(3-methyl-1-imidazol-3-iumyl)ethyl]-1,3-benzodioxol-5-amine chloride IUPAC Name: 6-ethoxy-N-[2-(3-methylimidazol-3-ium-1-yl)ethyl]-1,3-benzodioxol-5-amine chloride Traditional Name: (6-ethoxy-1,3-benzodioxol-5-yl)-[2-(3-methylimidazol-3-ium-1-yl)ethyl]amine chloride Formula: C15H20ClN3O3 MolecularWeight: 325.7906

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC2=C(C=C1NCCN3C=C[N+](=C3)C)OCO2.[Cl-]

Isomeric SMILES

CCOC1=CC2=C(C=C1NCCN3C=C[N+](=C3)C)OCO2.[Cl-]

InChI

InChI=1S/C15H20N3O3.ClH/c1-3-19-13-9-15-14(20-11-21-15)8-12(13)16-4-5-18-7-6-17(2)10-18;/h6-10,16H,3-5,11H2,1-2H3;1H/q+1;/p-1