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

Systemtic Name: (4-bromophenyl)-[4-(4-nitrophenyl)piperazin-4-ium-1-yl]methanone Openeye Name: (4-bromophenyl)-[4-(4-nitrophenyl)piperazin-4-ium-1-yl]methanone CAS Name: (4-bromophenyl)-[4-(4-nitrophenyl)-1-piperazin-4-iumyl]methanone IUPAC Name: (4-bromophenyl)-[4-(4-nitrophenyl)piperazin-4-ium-1-yl]methanone Traditional Name: (4-bromophenyl)-[4-(4-nitrophenyl)piperazin-4-ium-1-yl]methanone Formula: C17H17BrN3O3+ MolecularWeight: 391.23918

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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)Br

Isomeric SMILES

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

InChI

InChI=1S/C17H16BrN3O3/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/p+1