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

Systemtic Name: 6-[2-(3-methylimidazol-3-ium-1-yl)ethoxy]-1,3-benzodioxol-5-amine Openeye Name: 6-[2-(3-methylimidazol-3-ium-1-yl)ethoxy]-1,3-benzodioxol-5-amine CAS Name: 6-[2-(3-methyl-1-imidazol-3-iumyl)ethoxy]-1,3-benzodioxol-5-amine IUPAC Name: 6-[2-(3-methylimidazol-3-ium-1-yl)ethoxy]-1,3-benzodioxol-5-amine Traditional Name: [6-[2-(3-methylimidazol-3-ium-1-yl)ethoxy]-1,3-benzodioxol-5-yl]amine Formula: C13H16N3O3+ MolecularWeight: 262.28444

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H16N3O3/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/q+1