1-[(3-bromophenyl)methyl]-4-[(4-nitrophenyl)methyl]piperazin-4-ium

Systemtic Name: 1-[(3-bromophenyl)methyl]-4-[(4-nitrophenyl)methyl]piperazin-4-ium Openeye Name: 1-[(3-bromophenyl)methyl]-4-[(4-nitrophenyl)methyl]piperazin-4-ium CAS Name: 1-[(3-bromophenyl)methyl]-4-[(4-nitrophenyl)methyl]piperazin-4-ium IUPAC Name: 1-[(3-bromophenyl)methyl]-4-[(4-nitrophenyl)methyl]piperazin-4-ium Traditional Name: 1-(3-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=C3)Br

Isomeric SMILES

C1CN(CC[NH+]1CC2=CC=C(C=C2)[N+](=O)[O-])CC3=CC(=CC=C3)Br

InChI

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