2-[1-[2,6-bis(chloranyl)-4-nitro-phenyl]-4-methanoyl-piperazin-1-ium-1-yl]ethanamide

Systemtic Name: 2-[1-[2,6-bis(chloranyl)-4-nitro-phenyl]-4-methanoyl-piperazin-1-ium-1-yl]ethanamide Openeye Name: 2-[1-(2,6-dichloro-4-nitro-phenyl)-4-formyl-piperazin-1-ium-1-yl]acetamide CAS Name: 2-[1-(2,6-dichloro-4-nitrophenyl)-4-formyl-1-piperazin-1-iumyl]acetamide IUPAC Name: 2-[1-(2,6-dichloro-4-nitrophenyl)-4-formylpiperazin-1-ium-1-yl]acetamide Traditional Name: 2-[1-(2,6-dichloro-4-nitro-phenyl)-4-formyl-piperazin-1-ium-1-yl]acetamide Formula: C13H15Cl2N4O4+ MolecularWeight: 362.1886

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Descriptors Computed from Structure

Canonical SMILES:

C1C[N+](CCN1C=O)(CC(=O)N)C2=C(C=C(C=C2Cl)[N+](=O)[O-])Cl

Isomeric SMILES

C1C[N+](CCN1C=O)(CC(=O)N)C2=C(C=C(C=C2Cl)[N+](=O)[O-])Cl

InChI

InChI=1S/C13H14Cl2N4O4/c14-10-5-9(18(22)23)6-11(15)13(10)19(7-12(16)21)3-1-17(8-20)2-4-19/h5-6,8H,1-4,7H2,(H-,16,21)/p+1