2-(4-bromanylphenoxy)-1-[4-[(3-nitrophenyl)methyl]piperazin-4-ium-1-yl]ethanone

Systemtic Name: 2-(4-bromanylphenoxy)-1-[4-[(3-nitrophenyl)methyl]piperazin-4-ium-1-yl]ethanone Openeye Name: 2-(4-bromophenoxy)-1-[4-[(3-nitrophenyl)methyl]piperazin-4-ium-1-yl]ethanone CAS Name: 2-(4-bromophenoxy)-1-[4-[(3-nitrophenyl)methyl]-1-piperazin-4-iumyl]ethanone IUPAC Name: 2-(4-bromophenoxy)-1-[4-[(3-nitrophenyl)methyl]piperazin-4-ium-1-yl]ethanone Traditional Name: 2-(4-bromophenoxy)-1-[4-(3-nitrobenzyl)piperazin-4-ium-1-yl]ethanone Formula: C19H21BrN3O4+ MolecularWeight: 435.29174

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=CC(=CC=C2)[N+](=O)[O-])C(=O)COC3=CC=C(C=C3)Br

Isomeric SMILES

C1CN(CC[NH+]1CC2=CC(=CC=C2)[N+](=O)[O-])C(=O)COC3=CC=C(C=C3)Br

InChI

InChI=1S/C19H20BrN3O4/c20-16-4-6-18(7-5-16)27-14-19(24)22-10-8-21(9-11-22)13-15-2-1-3-17(12-15)23(25)26/h1-7,12H,8-11,13-14H2/p+1