1-[(4,5-dimethoxy-2-nitro-phenyl)methyl]-4-[(4-nitrophenyl)methyl]piperazine-1,4-diium

Systemtic Name: 1-[(4,5-dimethoxy-2-nitro-phenyl)methyl]-4-[(4-nitrophenyl)methyl]piperazine-1,4-diium Openeye Name: 1-[(4,5-dimethoxy-2-nitro-phenyl)methyl]-4-[(4-nitrophenyl)methyl]piperazine-1,4-diium CAS Name: 1-[(4,5-dimethoxy-2-nitrophenyl)methyl]-4-[(4-nitrophenyl)methyl]piperazine-1,4-diium IUPAC Name: 1-[(4,5-dimethoxy-2-nitrophenyl)methyl]-4-[(4-nitrophenyl)methyl]piperazine-1,4-diium Traditional Name: 1-(4,5-dimethoxy-2-nitro-benzyl)-4-(4-nitrobenzyl)piperazine-1,4-diium Formula: C20H26N4O6+2 MolecularWeight: 418.44364

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C(=C1)C[NH+]2CC[NH+](CC2)CC3=CC=C(C=C3)[N+](=O)[O-])[N+](=O)[O-])OC

Isomeric SMILES

COC1=C(C=C(C(=C1)C[NH+]2CC[NH+](CC2)CC3=CC=C(C=C3)[N+](=O)[O-])[N+](=O)[O-])OC

InChI

InChI=1S/C20H24N4O6/c1-29-19-11-16(18(24(27)28)12-20(19)30-2)14-22-9-7-21(8-10-22)13-15-3-5-17(6-4-15)23(25)26/h3-6,11-12H,7-10,13-14H2,1-2H3/p+2