4-[[4-[(3,4-dimethoxyphenyl)methyl]piperazine-1,4-diium-1-yl]methyl]-2,6-dimethoxy-phenol

Systemtic Name: 4-[[4-[(3,4-dimethoxyphenyl)methyl]piperazine-1,4-diium-1-yl]methyl]-2,6-dimethoxy-phenol Openeye Name: 4-[[4-[(3,4-dimethoxyphenyl)methyl]piperazine-1,4-diium-1-yl]methyl]-2,6-dimethoxy-phenol CAS Name: 4-[[4-[(3,4-dimethoxyphenyl)methyl]-1-piperazine-1,4-diiumyl]methyl]-2,6-dimethoxyphenol IUPAC Name: 4-[[4-[(3,4-dimethoxyphenyl)methyl]piperazine-1,4-diium-1-yl]methyl]-2,6-dimethoxyphenol Traditional Name: 2,6-dimethoxy-4-[(4-veratrylpiperazine-1,4-diium-1-yl)methyl]phenol Formula: C22H32N2O5+2 MolecularWeight: 404.49988

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)OC)O)OC)OC

Isomeric SMILES

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

InChI

InChI=1S/C22H30N2O5/c1-26-18-6-5-16(11-19(18)27-2)14-23-7-9-24(10-8-23)15-17-12-20(28-3)22(25)21(13-17)29-4/h5-6,11-13,25H,7-10,14-15H2,1-4H3/p+2