1-(1,3-benzodioxol-5-ylmethyl)-4-[(4,5-dimethoxy-2-nitro-phenyl)methyl]piperazine-1,4-diium

Systemtic Name: 1-(1,3-benzodioxol-5-ylmethyl)-4-[(4,5-dimethoxy-2-nitro-phenyl)methyl]piperazine-1,4-diium Openeye Name: 1-(1,3-benzodioxol-5-ylmethyl)-4-[(4,5-dimethoxy-2-nitro-phenyl)methyl]piperazine-1,4-diium CAS Name: 1-(1,3-benzodioxol-5-ylmethyl)-4-[(4,5-dimethoxy-2-nitrophenyl)methyl]piperazine-1,4-diium IUPAC Name: 1-(1,3-benzodioxol-5-ylmethyl)-4-[(4,5-dimethoxy-2-nitrophenyl)methyl]piperazine-1,4-diium Traditional Name: 1-(4,5-dimethoxy-2-nitro-benzyl)-4-piperonyl-piperazine-1,4-diium Formula: C21H27N3O6+2 MolecularWeight: 417.45558

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C(=C1)C[NH+]2CC[NH+](CC2)CC3=CC4=C(C=C3)OCO4)[N+](=O)[O-])OC

Isomeric SMILES

COC1=C(C=C(C(=C1)C[NH+]2CC[NH+](CC2)CC3=CC4=C(C=C3)OCO4)[N+](=O)[O-])OC

InChI

InChI=1S/C21H25N3O6/c1-27-19-10-16(17(24(25)26)11-20(19)28-2)13-23-7-5-22(6-8-23)12-15-3-4-18-21(9-15)30-14-29-18/h3-4,9-11H,5-8,12-14H2,1-2H3/p+2