1-[4-(4-methylpiperazin-4-ium-1-yl)-3-nitro-phenyl]-N-(1,2,4-triazol-4-yl)methanimine

Systemtic Name: 1-[4-(4-methylpiperazin-4-ium-1-yl)-3-nitro-phenyl]-N-(1,2,4-triazol-4-yl)methanimine Openeye Name: 1-[4-(4-methylpiperazin-4-ium-1-yl)-3-nitro-phenyl]-N-(1,2,4-triazol-4-yl)methanimine CAS Name: 1-[4-(4-methyl-1-piperazin-4-iumyl)-3-nitrophenyl]-N-(1,2,4-triazol-4-yl)methanimine IUPAC Name: 1-[4-(4-methylpiperazin-4-ium-1-yl)-3-nitrophenyl]-N-(1,2,4-triazol-4-yl)methanimine Traditional Name: [4-(4-methylpiperazin-4-ium-1-yl)-3-nitro-benzylidene]-(1,2,4-triazol-4-yl)amine Formula: C14H18N7O2+ MolecularWeight: 316.33842

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCN(CC1)C2=C(C=C(C=C2)C=NN3C=NN=C3)[N+](=O)[O-]

Isomeric SMILES

C[NH+]1CCN(CC1)C2=C(C=C(C=C2)C=NN3C=NN=C3)[N+](=O)[O-]

InChI

InChI=1S/C14H17N7O2/c1-18-4-6-19(7-5-18)13-3-2-12(8-14(13)21(22)23)9-17-20-10-15-16-11-20/h2-3,8-11H,4-7H2,1H3/p+1