(2-chloranyl-4-nitro-phenyl)-[4-[(3-chlorophenyl)methyl]piperazin-4-ium-1-yl]methanone

Systemtic Name: (2-chloranyl-4-nitro-phenyl)-[4-[(3-chlorophenyl)methyl]piperazin-4-ium-1-yl]methanone Openeye Name: (2-chloro-4-nitro-phenyl)-[4-[(3-chlorophenyl)methyl]piperazin-4-ium-1-yl]methanone CAS Name: (2-chloro-4-nitrophenyl)-[4-[(3-chlorophenyl)methyl]-1-piperazin-4-iumyl]methanone IUPAC Name: (2-chloro-4-nitrophenyl)-[4-[(3-chlorophenyl)methyl]piperazin-4-ium-1-yl]methanone Traditional Name: [4-(3-chlorobenzyl)piperazin-4-ium-1-yl]-(2-chloro-4-nitro-phenyl)methanone Formula: C18H18Cl2N3O3+ MolecularWeight: 395.25982

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H17Cl2N3O3/c19-14-3-1-2-13(10-14)12-21-6-8-22(9-7-21)18(24)16-5-4-15(23(25)26)11-17(16)20/h1-5,10-11H,6-9,12H2/p+1