2-[4-(2-chloranyl-4-nitro-phenyl)piperazin-1-ium-1-yl]-N,N-dimethyl-ethanamide

Systemtic Name: 2-[4-(2-chloranyl-4-nitro-phenyl)piperazin-1-ium-1-yl]-N,N-dimethyl-ethanamide Openeye Name: 2-[4-(2-chloro-4-nitro-phenyl)piperazin-1-ium-1-yl]-N,N-dimethyl-acetamide CAS Name: 2-[4-(2-chloro-4-nitrophenyl)-1-piperazin-1-iumyl]-N,N-dimethylacetamide IUPAC Name: 2-[4-(2-chloro-4-nitrophenyl)piperazin-1-ium-1-yl]-N,N-dimethylacetamide Traditional Name: 2-[4-(2-chloro-4-nitro-phenyl)piperazin-1-ium-1-yl]-N,N-dimethyl-acetamide Formula: C14H20ClN4O3+ MolecularWeight: 327.7866

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)C(=O)C[NH+]1CCN(CC1)C2=C(C=C(C=C2)[N+](=O)[O-])Cl

Isomeric SMILES

CN(C)C(=O)C[NH+]1CCN(CC1)C2=C(C=C(C=C2)[N+](=O)[O-])Cl

InChI

InChI=1S/C14H19ClN4O3/c1-16(2)14(20)10-17-5-7-18(8-6-17)13-4-3-11(19(21)22)9-12(13)15/h3-4,9H,5-8,10H2,1-2H3/p+1