1-cycloheptyl-4-[(3,4,5-trimethoxyphenyl)methyl]piperazine; ethanedioic acid

Systemtic Name: 1-cycloheptyl-4-[(3,4,5-trimethoxyphenyl)methyl]piperazine; ethanedioic acid Openeye Name: 1-cycloheptyl-4-[(3,4,5-trimethoxyphenyl)methyl]piperazine; oxalic acid CAS Name: 1-cycloheptyl-4-[(3,4,5-trimethoxyphenyl)methyl]piperazine; oxalic acid IUPAC Name: 1-cycloheptyl-4-[(3,4,5-trimethoxyphenyl)methyl]piperazine; oxalic acid Traditional Name: 1-cycloheptyl-4-(3,4,5-trimethoxybenzyl)piperazine; oxalic acid Formula: C23H36N2O7 MolecularWeight: 452.54114

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1OC)OC)CN2CCN(CC2)C3CCCCCC3.C(=O)(C(=O)O)O

Isomeric SMILES

COC1=CC(=CC(=C1OC)OC)CN2CCN(CC2)C3CCCCCC3.C(=O)(C(=O)O)O

InChI

InChI=1S/C21H34N2O3.C2H2O4/c1-24-19-14-17(15-20(25-2)21(19)26-3)16-22-10-12-23(13-11-22)18-8-6-4-5-7-9-18;3-1(4)2(5)6/h14-15,18H,4-13,16H2,1-3H3;(H,3,4)(H,5,6)