(4-bromophenyl)-[2-(4-methylpiperazin-4-ium-1-yl)-5-nitro-phenyl]methanone

Systemtic Name: (4-bromophenyl)-[2-(4-methylpiperazin-4-ium-1-yl)-5-nitro-phenyl]methanone Openeye Name: (4-bromophenyl)-[2-(4-methylpiperazin-4-ium-1-yl)-5-nitro-phenyl]methanone CAS Name: (4-bromophenyl)-[2-(4-methyl-1-piperazin-4-iumyl)-5-nitrophenyl]methanone IUPAC Name: (4-bromophenyl)-[2-(4-methylpiperazin-4-ium-1-yl)-5-nitrophenyl]methanone Traditional Name: (4-bromophenyl)-[2-(4-methylpiperazin-4-ium-1-yl)-5-nitro-phenyl]methanone Formula: C18H19BrN3O3+ MolecularWeight: 405.26576

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCN(CC1)C2=C(C=C(C=C2)[N+](=O)[O-])C(=O)C3=CC=C(C=C3)Br

Isomeric SMILES

C[NH+]1CCN(CC1)C2=C(C=C(C=C2)[N+](=O)[O-])C(=O)C3=CC=C(C=C3)Br

InChI

InChI=1S/C18H18BrN3O3/c1-20-8-10-21(11-9-20)17-7-6-15(22(24)25)12-16(17)18(23)13-2-4-14(19)5-3-13/h2-7,12H,8-11H2,1H3/p+1