N-(4-methylpiperazin-4-ium-1-yl)-1-(6-nitro-1,3-benzodioxol-5-yl)methanimine

Systemtic Name: N-(4-methylpiperazin-4-ium-1-yl)-1-(6-nitro-1,3-benzodioxol-5-yl)methanimine Openeye Name: N-(4-methylpiperazin-4-ium-1-yl)-1-(6-nitro-1,3-benzodioxol-5-yl)methanimine CAS Name: N-(4-methyl-1-piperazin-4-iumyl)-1-(6-nitro-1,3-benzodioxol-5-yl)methanimine IUPAC Name: N-(4-methylpiperazin-4-ium-1-yl)-1-(6-nitro-1,3-benzodioxol-5-yl)methanimine Traditional Name: (Z)-(4-methylpiperazin-4-ium-1-yl)-[(6-nitro-1,3-benzodioxol-5-yl)methylene]amine Formula: C13H17N4O4+ MolecularWeight: 293.29848

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCN(CC1)N=CC2=CC3=C(C=C2[N+](=O)[O-])OCO3

Isomeric SMILES

C[NH+]1CCN(CC1)/N=C\C2=CC3=C(C=C2[N+](=O)[O-])OCO3

InChI

InChI=1S/C13H16N4O4/c1-15-2-4-16(5-3-15)14-8-10-6-12-13(21-9-20-12)7-11(10)17(18)19/h6-8H,2-5,9H2,1H3/p+1/b14-8-