N-(2-methoxy-5-nitro-phenyl)-2-piperazin-1-ium-1-yl-ethanamide

Systemtic Name: N-(2-methoxy-5-nitro-phenyl)-2-piperazin-1-ium-1-yl-ethanamide Openeye Name: N-(2-methoxy-5-nitro-phenyl)-2-piperazin-1-ium-1-yl-acetamide CAS Name: N-(2-methoxy-5-nitrophenyl)-2-(1-piperazin-1-iumyl)acetamide IUPAC Name: N-(2-methoxy-5-nitrophenyl)-2-piperazin-1-ium-1-ylacetamide Traditional Name: N-(2-methoxy-5-nitro-phenyl)-2-piperazin-1-ium-1-yl-acetamide Formula: C13H19N4O4+ MolecularWeight: 295.31436

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)[N+](=O)[O-])NC(=O)C[NH+]2CCNCC2

Isomeric SMILES

COC1=C(C=C(C=C1)[N+](=O)[O-])NC(=O)C[NH+]2CCNCC2

InChI

InChI=1S/C13H18N4O4/c1-21-12-3-2-10(17(19)20)8-11(12)15-13(18)9-16-6-4-14-5-7-16/h2-3,8,14H,4-7,9H2,1H3,(H,15,18)/p+1