N5-[2-(3-methylimidazol-3-ium-1-yl)ethyl]-1,3-benzodioxole-5,6-diamine

Systemtic Name: N5-[2-(3-methylimidazol-3-ium-1-yl)ethyl]-1,3-benzodioxole-5,6-diamine Openeye Name: N5-[2-(3-methylimidazol-3-ium-1-yl)ethyl]-1,3-benzodioxole-5,6-diamine CAS Name: N5-[2-(3-methyl-1-imidazol-3-iumyl)ethyl]-1,3-benzodioxole-5,6-diamine IUPAC Name: 5-N-[2-(3-methylimidazol-3-ium-1-yl)ethyl]-1,3-benzodioxole-5,6-diamine Traditional Name: (6-amino-1,3-benzodioxol-5-yl)-[2-(3-methylimidazol-3-ium-1-yl)ethyl]amine Formula: C13H17N4O2+ MolecularWeight: 261.29968

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1=CN(C=C1)CCNC2=CC3=C(C=C2N)OCO3

Isomeric SMILES

C[N+]1=CN(C=C1)CCNC2=CC3=C(C=C2N)OCO3

InChI

InChI=1S/C13H17N4O2/c1-16-4-5-17(8-16)3-2-15-11-7-13-12(6-10(11)14)18-9-19-13/h4-8,15H,2-3,9,14H2,1H3/q+1