1-[(3-bromophenyl)methyl]-4-[(2-nitrophenyl)methyl]piperazine-1,4-diium

Systemtic Name: 1-[(3-bromophenyl)methyl]-4-[(2-nitrophenyl)methyl]piperazine-1,4-diium Openeye Name: 1-[(3-bromophenyl)methyl]-4-[(2-nitrophenyl)methyl]piperazine-1,4-diium CAS Name: 1-[(3-bromophenyl)methyl]-4-[(2-nitrophenyl)methyl]piperazine-1,4-diium IUPAC Name: 1-[(3-bromophenyl)methyl]-4-[(2-nitrophenyl)methyl]piperazine-1,4-diium Traditional Name: 1-(3-bromobenzyl)-4-(2-nitrobenzyl)piperazine-1,4-diium Formula: C18H22BrN3O2+2 MolecularWeight: 392.29018

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CC[NH+]1CC2=CC(=CC=C2)Br)CC3=CC=CC=C3[N+](=O)[O-]

Isomeric SMILES

C1C[NH+](CC[NH+]1CC2=CC(=CC=C2)Br)CC3=CC=CC=C3[N+](=O)[O-]

InChI

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