4-[(4-cycloheptylpiperazine-1,4-diium-1-yl)methyl]-2,6-dimethoxy-phenol

Systemtic Name: 4-[(4-cycloheptylpiperazine-1,4-diium-1-yl)methyl]-2,6-dimethoxy-phenol Openeye Name: 4-[(4-cycloheptylpiperazine-1,4-diium-1-yl)methyl]-2,6-dimethoxy-phenol CAS Name: 4-[(4-cycloheptyl-1-piperazine-1,4-diiumyl)methyl]-2,6-dimethoxyphenol IUPAC Name: 4-[(4-cycloheptylpiperazine-1,4-diium-1-yl)methyl]-2,6-dimethoxyphenol Traditional Name: 4-[(4-cycloheptylpiperazine-1,4-diium-1-yl)methyl]-2,6-dimethoxy-phenol Formula: C20H34N2O3+2 MolecularWeight: 350.49556

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1O)OC)C[NH+]2CC[NH+](CC2)C3CCCCCC3

Isomeric SMILES

COC1=CC(=CC(=C1O)OC)C[NH+]2CC[NH+](CC2)C3CCCCCC3

InChI

InChI=1S/C20H32N2O3/c1-24-18-13-16(14-19(25-2)20(18)23)15-21-9-11-22(12-10-21)17-7-5-3-4-6-8-17/h13-14,17,23H,3-12,15H2,1-2H3/p+2