4-[[4-(3-chlorophenyl)piperazin-1-yl]methyl]-2,6-dimethoxy-phenol; ethanedioic acid

Systemtic Name: 4-[[4-(3-chlorophenyl)piperazin-1-yl]methyl]-2,6-dimethoxy-phenol; ethanedioic acid Openeye Name: 4-[[4-(3-chlorophenyl)piperazin-1-yl]methyl]-2,6-dimethoxy-phenol; oxalic acid CAS Name: 4-[[4-(3-chlorophenyl)-1-piperazinyl]methyl]-2,6-dimethoxyphenol; oxalic acid IUPAC Name: 4-[[4-(3-chlorophenyl)piperazin-1-yl]methyl]-2,6-dimethoxyphenol; oxalic acid Traditional Name: 4-[[4-(3-chlorophenyl)piperazino]methyl]-2,6-dimethoxy-phenol; oxalic acid Formula: C21H25ClN2O7 MolecularWeight: 452.8854

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1O)OC)CN2CCN(CC2)C3=CC(=CC=C3)Cl.C(=O)(C(=O)O)O

Isomeric SMILES

COC1=CC(=CC(=C1O)OC)CN2CCN(CC2)C3=CC(=CC=C3)Cl.C(=O)(C(=O)O)O

InChI

InChI=1S/C19H23ClN2O3.C2H2O4/c1-24-17-10-14(11-18(25-2)19(17)23)13-21-6-8-22(9-7-21)16-5-3-4-15(20)12-16;3-1(4)2(5)6/h3-5,10-12,23H,6-9,13H2,1-2H3;(H,3,4)(H,5,6)