N-(2-chloranyl-4-nitro-phenyl)-2-piperazin-1-ium-1-yl-ethanamide

Systemtic Name: N-(2-chloranyl-4-nitro-phenyl)-2-piperazin-1-ium-1-yl-ethanamide Openeye Name: N-(2-chloro-4-nitro-phenyl)-2-piperazin-1-ium-1-yl-acetamide CAS Name: N-(2-chloro-4-nitrophenyl)-2-(1-piperazin-1-iumyl)acetamide IUPAC Name: N-(2-chloro-4-nitrophenyl)-2-piperazin-1-ium-1-ylacetamide Traditional Name: N-(2-chloro-4-nitro-phenyl)-2-piperazin-1-ium-1-yl-acetamide Formula: C12H16ClN4O3+ MolecularWeight: 299.73344

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CCN1)CC(=O)NC2=C(C=C(C=C2)[N+](=O)[O-])Cl

Isomeric SMILES

C1C[NH+](CCN1)CC(=O)NC2=C(C=C(C=C2)[N+](=O)[O-])Cl

InChI

InChI=1S/C12H15ClN4O3/c13-10-7-9(17(19)20)1-2-11(10)15-12(18)8-16-5-3-14-4-6-16/h1-2,7,14H,3-6,8H2,(H,15,18)/p+1