1-(2-chloranyl-4-nitro-phenyl)piperazin-4-ium chloride

Systemtic Name: 1-(2-chloranyl-4-nitro-phenyl)piperazin-4-ium chloride Openeye Name: 1-(2-chloro-4-nitro-phenyl)piperazin-4-ium chloride CAS Name: 1-(2-chloro-4-nitrophenyl)piperazin-4-ium chloride IUPAC Name: 1-(2-chloro-4-nitrophenyl)piperazin-4-ium chloride Traditional Name: 1-(2-chloro-4-nitro-phenyl)piperazin-4-ium chloride Formula: C10H13Cl2N3O2 MolecularWeight: 278.13512

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH2+]1)C2=C(C=C(C=C2)[N+](=O)[O-])Cl.[Cl-]

Isomeric SMILES

C1CN(CC[NH2+]1)C2=C(C=C(C=C2)[N+](=O)[O-])Cl.[Cl-]

InChI

InChI=1S/C10H12ClN3O2.ClH/c11-9-7-8(14(15)16)1-2-10(9)13-5-3-12-4-6-13;/h1-2,7,12H,3-6H2;1H