1-(2-chloranyl-4-nitro-phenyl)-4-[(4-chlorophenyl)methyl]piperazin-4-ium chloride

Systemtic Name: 1-(2-chloranyl-4-nitro-phenyl)-4-[(4-chlorophenyl)methyl]piperazin-4-ium chloride Openeye Name: 1-(2-chloro-4-nitro-phenyl)-4-[(4-chlorophenyl)methyl]piperazin-4-ium chloride CAS Name: 1-(2-chloro-4-nitrophenyl)-4-[(4-chlorophenyl)methyl]piperazin-4-ium chloride IUPAC Name: 1-(2-chloro-4-nitrophenyl)-4-[(4-chlorophenyl)methyl]piperazin-4-ium chloride Traditional Name: 1-(4-chlorobenzyl)-4-(2-chloro-4-nitro-phenyl)piperazin-1-ium chloride Formula: C17H18Cl3N3O2 MolecularWeight: 402.70272

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=CC=C(C=C2)Cl)C3=C(C=C(C=C3)[N+](=O)[O-])Cl.[Cl-]

Isomeric SMILES

C1CN(CC[NH+]1CC2=CC=C(C=C2)Cl)C3=C(C=C(C=C3)[N+](=O)[O-])Cl.[Cl-]

InChI

InChI=1S/C17H17Cl2N3O2.ClH/c18-14-3-1-13(2-4-14)12-20-7-9-21(10-8-20)17-6-5-15(22(23)24)11-16(17)19;/h1-6,11H,7-10,12H2;1H