1-[(2-bromophenyl)methyl]-4-[(4-nitrophenyl)methyl]piperazin-4-ium

Systemtic Name: 1-[(2-bromophenyl)methyl]-4-[(4-nitrophenyl)methyl]piperazin-4-ium Openeye Name: 1-[(2-bromophenyl)methyl]-4-[(4-nitrophenyl)methyl]piperazin-4-ium CAS Name: 1-[(2-bromophenyl)methyl]-4-[(4-nitrophenyl)methyl]piperazin-4-ium IUPAC Name: 1-[(2-bromophenyl)methyl]-4-[(4-nitrophenyl)methyl]piperazin-4-ium Traditional Name: 1-(2-bromobenzyl)-4-(4-nitrobenzyl)piperazin-4-ium Formula: C18H21BrN3O2+ MolecularWeight: 391.28224

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=CC=C(C=C2)[N+](=O)[O-])CC3=CC=CC=C3Br

Isomeric SMILES

C1CN(CC[NH+]1CC2=CC=C(C=C2)[N+](=O)[O-])CC3=CC=CC=C3Br

InChI

InChI=1S/C18H20BrN3O2/c19-18-4-2-1-3-16(18)14-21-11-9-20(10-12-21)13-15-5-7-17(8-6-15)22(23)24/h1-8H,9-14H2/p+1