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

Systemtic Name: 4-[[4-[(2-bromophenyl)methyl]piperazin-1-yl]methyl]-2,6-dimethoxy-phenol; ethanedioic acid Openeye Name: 4-[[4-[(2-bromophenyl)methyl]piperazin-1-yl]methyl]-2,6-dimethoxy-phenol; oxalic acid CAS Name: 4-[[4-[(2-bromophenyl)methyl]-1-piperazinyl]methyl]-2,6-dimethoxyphenol; oxalic acid IUPAC Name: 4-[[4-[(2-bromophenyl)methyl]piperazin-1-yl]methyl]-2,6-dimethoxyphenol; oxalic acid Traditional Name: 4-[[4-(2-bromobenzyl)piperazino]methyl]-2,6-dimethoxy-phenol; oxalic acid Formula: C22H27BrN2O7 MolecularWeight: 511.36298

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1O)OC)CN2CCN(CC2)CC3=CC=CC=C3Br.C(=O)(C(=O)O)O

Isomeric SMILES

COC1=CC(=CC(=C1O)OC)CN2CCN(CC2)CC3=CC=CC=C3Br.C(=O)(C(=O)O)O

InChI

InChI=1S/C20H25BrN2O3.C2H2O4/c1-25-18-11-15(12-19(26-2)20(18)24)13-22-7-9-23(10-8-22)14-16-5-3-4-6-17(16)21;3-1(4)2(5)6/h3-6,11-12,24H,7-10,13-14H2,1-2H3;(H,3,4)(H,5,6)