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

Systemtic Name: N-[2-(3-methylimidazol-3-ium-1-yl)ethyl]-6-nitro-1,3-benzodioxol-5-amine chloride Openeye Name: N-[2-(3-methylimidazol-3-ium-1-yl)ethyl]-6-nitro-1,3-benzodioxol-5-amine chloride CAS Name: N-[2-(3-methyl-1-imidazol-3-iumyl)ethyl]-6-nitro-1,3-benzodioxol-5-amine chloride IUPAC Name: N-[2-(3-methylimidazol-3-ium-1-yl)ethyl]-6-nitro-1,3-benzodioxol-5-amine chloride Traditional Name: 2-(3-methylimidazol-3-ium-1-yl)ethyl-(6-nitro-1,3-benzodioxol-5-yl)amine chloride Formula: C13H15ClN4O4 MolecularWeight: 326.7356

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H15N4O4.ClH/c1-15-4-5-16(8-15)3-2-14-10-6-12-13(21-9-20-12)7-11(10)17(18)19;/h4-8,14H,2-3,9H2,1H3;1H/q+1;/p-1