1-[(4,5-dimethoxy-2-nitro-phenyl)methyl]-4-[(4-nitrophenyl)methyl]piperazin-4-ium

Systemtic Name: 1-[(4,5-dimethoxy-2-nitro-phenyl)methyl]-4-[(4-nitrophenyl)methyl]piperazin-4-ium Openeye Name: 1-[(4,5-dimethoxy-2-nitro-phenyl)methyl]-4-[(4-nitrophenyl)methyl]piperazin-4-ium CAS Name: 1-[(4,5-dimethoxy-2-nitrophenyl)methyl]-4-[(4-nitrophenyl)methyl]piperazin-4-ium IUPAC Name: 1-[(4,5-dimethoxy-2-nitrophenyl)methyl]-4-[(4-nitrophenyl)methyl]piperazin-4-ium Traditional Name: 1-(4,5-dimethoxy-2-nitro-benzyl)-4-(4-nitrobenzyl)piperazin-4-ium Formula: C20H25N4O6+ MolecularWeight: 417.4357

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C(=C1)CN2CC[NH+](CC2)CC3=CC=C(C=C3)[N+](=O)[O-])[N+](=O)[O-])OC

Isomeric SMILES

COC1=C(C=C(C(=C1)CN2CC[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+1