(4-chlorophenyl)-[4-(4-nitrophenyl)piperazin-4-ium-1-yl]methanone chloride

Systemtic Name: (4-chlorophenyl)-[4-(4-nitrophenyl)piperazin-4-ium-1-yl]methanone chloride Openeye Name: (4-chlorophenyl)-[4-(4-nitrophenyl)piperazin-4-ium-1-yl]methanone chloride CAS Name: (4-chlorophenyl)-[4-(4-nitrophenyl)-1-piperazin-4-iumyl]methanone chloride IUPAC Name: (4-chlorophenyl)-[4-(4-nitrophenyl)piperazin-4-ium-1-yl]methanone chloride Traditional Name: (4-chlorophenyl)-[4-(4-nitrophenyl)piperazin-4-ium-1-yl]methanone chloride Formula: C17H17Cl2N3O3 MolecularWeight: 382.24118

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H16ClN3O3.ClH/c18-14-3-1-13(2-4-14)17(22)20-11-9-19(10-12-20)15-5-7-16(8-6-15)21(23)24;/h1-8H,9-12H2;1H