1-[(2,3-dimethoxyphenyl)methyl]-4-(3-methylcyclohexyl)piperazine; ethanedioic acid

Systemtic Name: 1-[(2,3-dimethoxyphenyl)methyl]-4-(3-methylcyclohexyl)piperazine; ethanedioic acid Openeye Name: 1-[(2,3-dimethoxyphenyl)methyl]-4-(3-methylcyclohexyl)piperazine; oxalic acid CAS Name: 1-[(2,3-dimethoxyphenyl)methyl]-4-(3-methylcyclohexyl)piperazine; oxalic acid IUPAC Name: 1-[(2,3-dimethoxyphenyl)methyl]-4-(3-methylcyclohexyl)piperazine; oxalic acid Traditional Name: 1-(3-methylcyclohexyl)-4-o-veratryl-piperazine; oxalic acid Formula: C22H34N2O6 MolecularWeight: 422.51516

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1CCCC(C1)N2CCN(CC2)CC3=C(C(=CC=C3)OC)OC.C(=O)(C(=O)O)O

Isomeric SMILES

CC1CCCC(C1)N2CCN(CC2)CC3=C(C(=CC=C3)OC)OC.C(=O)(C(=O)O)O

InChI

InChI=1S/C20H32N2O2.C2H2O4/c1-16-6-4-8-18(14-16)22-12-10-21(11-13-22)15-17-7-5-9-19(23-2)20(17)24-3;3-1(4)2(5)6/h5,7,9,16,18H,4,6,8,10-15H2,1-3H3;(H,3,4)(H,5,6)