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

Systemtic Name: 1-[(4,5-dimethoxy-2-nitro-phenyl)methyl]-4-[(2,4-dimethoxyphenyl)methyl]piperazin-1-ium Openeye Name: 1-[(4,5-dimethoxy-2-nitro-phenyl)methyl]-4-[(2,4-dimethoxyphenyl)methyl]piperazin-1-ium CAS Name: 1-[(4,5-dimethoxy-2-nitrophenyl)methyl]-4-[(2,4-dimethoxyphenyl)methyl]piperazin-1-ium IUPAC Name: 1-[(4,5-dimethoxy-2-nitrophenyl)methyl]-4-[(2,4-dimethoxyphenyl)methyl]piperazin-1-ium Traditional Name: 1-(2,4-dimethoxybenzyl)-4-(4,5-dimethoxy-2-nitro-benzyl)piperazin-4-ium Formula: C22H30N3O6+ MolecularWeight: 432.4901

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H29N3O6/c1-28-18-6-5-16(20(12-18)29-2)14-23-7-9-24(10-8-23)15-17-11-21(30-3)22(31-4)13-19(17)25(26)27/h5-6,11-13H,7-10,14-15H2,1-4H3/p+1