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

Systemtic Name: N-[2-(3-methylimidazol-3-ium-1-yl)ethyl]-1,3-benzodioxol-5-amine chloride Openeye Name: N-[2-(3-methylimidazol-3-ium-1-yl)ethyl]-1,3-benzodioxol-5-amine chloride CAS Name: N-[2-(3-methyl-1-imidazol-3-iumyl)ethyl]-1,3-benzodioxol-5-amine chloride IUPAC Name: N-[2-(3-methylimidazol-3-ium-1-yl)ethyl]-1,3-benzodioxol-5-amine chloride Traditional Name: 1,3-benzodioxol-5-yl-[2-(3-methylimidazol-3-ium-1-yl)ethyl]amine chloride Formula: C13H16ClN3O2 MolecularWeight: 281.73804

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1=CN(C=C1)CCNC2=CC3=C(C=C2)OCO3.[Cl-]

Isomeric SMILES

C[N+]1=CN(C=C1)CCNC2=CC3=C(C=C2)OCO3.[Cl-]

InChI

InChI=1S/C13H16N3O2.ClH/c1-15-6-7-16(9-15)5-4-14-11-2-3-12-13(8-11)18-10-17-12;/h2-3,6-9,14H,4-5,10H2,1H3;1H/q+1;/p-1