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

Systemtic Name: N5-[2-(3-methylimidazol-3-ium-1-yl)ethyl]-1,3-benzodioxole-5,6-diamine chloride Openeye Name: N5-[2-(3-methylimidazol-3-ium-1-yl)ethyl]-1,3-benzodioxole-5,6-diamine chloride CAS Name: N5-[2-(3-methyl-1-imidazol-3-iumyl)ethyl]-1,3-benzodioxole-5,6-diamine chloride IUPAC Name: 5-N-[2-(3-methylimidazol-3-ium-1-yl)ethyl]-1,3-benzodioxole-5,6-diamine chloride Traditional Name: (6-amino-1,3-benzodioxol-5-yl)-[2-(3-methylimidazol-3-ium-1-yl)ethyl]amine chloride Formula: C13H17ClN4O2 MolecularWeight: 296.75268

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H17N4O2.ClH/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;1H/q+1;/p-1