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

Systemtic Name: 1-[(4-bromophenyl)methyl]-4-(4-nitrophenyl)piperazin-1-ium Openeye Name: 1-[(4-bromophenyl)methyl]-4-(4-nitrophenyl)piperazin-1-ium CAS Name: 1-[(4-bromophenyl)methyl]-4-(4-nitrophenyl)piperazin-1-ium IUPAC Name: 1-[(4-bromophenyl)methyl]-4-(4-nitrophenyl)piperazin-1-ium Traditional Name: 1-(4-bromobenzyl)-4-(4-nitrophenyl)piperazin-1-ium Formula: C17H19BrN3O2+ MolecularWeight: 377.25566

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H18BrN3O2/c18-15-3-1-14(2-4-15)13-19-9-11-20(12-10-19)16-5-7-17(8-6-16)21(22)23/h1-8H,9-13H2/p+1