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

Systemtic Name: 6-methoxy-N-[2-(3-methylimidazol-3-ium-1-yl)ethyl]-1,3-benzodioxol-5-amine chloride Openeye Name: 6-methoxy-N-[2-(3-methylimidazol-3-ium-1-yl)ethyl]-1,3-benzodioxol-5-amine chloride CAS Name: 6-methoxy-N-[2-(3-methyl-1-imidazol-3-iumyl)ethyl]-1,3-benzodioxol-5-amine chloride IUPAC Name: 6-methoxy-N-[2-(3-methylimidazol-3-ium-1-yl)ethyl]-1,3-benzodioxol-5-amine chloride Traditional Name: (6-methoxy-1,3-benzodioxol-5-yl)-[2-(3-methylimidazol-3-ium-1-yl)ethyl]amine chloride Formula: C14H18ClN3O3 MolecularWeight: 311.76402

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1=CN(C=C1)CCNC2=CC3=C(C=C2OC)OCO3.[Cl-]

Isomeric SMILES

C[N+]1=CN(C=C1)CCNC2=CC3=C(C=C2OC)OCO3.[Cl-]

InChI

InChI=1S/C14H18N3O3.ClH/c1-16-5-6-17(9-16)4-3-15-11-7-13-14(20-10-19-13)8-12(11)18-2;/h5-9,15H,3-4,10H2,1-2H3;1H/q+1;/p-1