N-(2-methyl-5-nitro-phenyl)-2-piperazine-1,4-diium-1-yl-ethanamide

Systemtic Name: N-(2-methyl-5-nitro-phenyl)-2-piperazine-1,4-diium-1-yl-ethanamide Openeye Name: N-(2-methyl-5-nitro-phenyl)-2-piperazine-1,4-diium-1-yl-acetamide CAS Name: N-(2-methyl-5-nitrophenyl)-2-(1-piperazine-1,4-diiumyl)acetamide IUPAC Name: N-(2-methyl-5-nitrophenyl)-2-piperazine-1,4-diium-1-ylacetamide Traditional Name: N-(2-methyl-5-nitro-phenyl)-2-piperazine-1,4-diium-1-yl-acetamide Formula: C13H20N4O3+2 MolecularWeight: 280.3229

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)[N+](=O)[O-])NC(=O)C[NH+]2CC[NH2+]CC2

Isomeric SMILES

CC1=C(C=C(C=C1)[N+](=O)[O-])NC(=O)C[NH+]2CC[NH2+]CC2

InChI

InChI=1S/C13H18N4O3/c1-10-2-3-11(17(19)20)8-12(10)15-13(18)9-16-6-4-14-5-7-16/h2-3,8,14H,4-7,9H2,1H3,(H,15,18)/p+2