1-[(4,5-dimethoxy-2-nitro-phenyl)methyl]-4-[(2,3-dimethoxyphenyl)methyl]piperazin-1-ium

Systemtic Name: 1-[(4,5-dimethoxy-2-nitro-phenyl)methyl]-4-[(2,3-dimethoxyphenyl)methyl]piperazin-1-ium Openeye Name: 1-[(4,5-dimethoxy-2-nitro-phenyl)methyl]-4-[(2,3-dimethoxyphenyl)methyl]piperazin-1-ium CAS Name: 1-[(4,5-dimethoxy-2-nitrophenyl)methyl]-4-[(2,3-dimethoxyphenyl)methyl]piperazin-1-ium IUPAC Name: 1-[(4,5-dimethoxy-2-nitrophenyl)methyl]-4-[(2,3-dimethoxyphenyl)methyl]piperazin-1-ium Traditional Name: 1-(4,5-dimethoxy-2-nitro-benzyl)-4-o-veratryl-piperazin-1-ium Formula: C22H30N3O6+ MolecularWeight: 432.4901

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1OC)CN2CC[NH+](CC2)CC3=CC(=C(C=C3[N+](=O)[O-])OC)OC

Isomeric SMILES

COC1=CC=CC(=C1OC)CN2CC[NH+](CC2)CC3=CC(=C(C=C3[N+](=O)[O-])OC)OC

InChI

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