N-(4-methylpiperazin-4-ium-1-yl)-1-(3-nitrophenyl)methanimine

Systemtic Name: N-(4-methylpiperazin-4-ium-1-yl)-1-(3-nitrophenyl)methanimine Openeye Name: N-(4-methylpiperazin-4-ium-1-yl)-1-(3-nitrophenyl)methanimine CAS Name: N-(4-methyl-1-piperazin-4-iumyl)-1-(3-nitrophenyl)methanimine IUPAC Name: N-(4-methylpiperazin-4-ium-1-yl)-1-(3-nitrophenyl)methanimine Traditional Name: (Z)-(4-methylpiperazin-4-ium-1-yl)-(3-nitrobenzylidene)amine Formula: C12H17N4O2+ MolecularWeight: 249.28898

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H16N4O2/c1-14-5-7-15(8-6-14)13-10-11-3-2-4-12(9-11)16(17)18/h2-4,9-10H,5-8H2,1H3/p+1/b13-10-