1-[(3-bromophenyl)methyl]-4-[(7-methoxy-1,3-benzodioxol-5-yl)methyl]piperazine; ethanedioic acid

Systemtic Name: 1-[(3-bromophenyl)methyl]-4-[(7-methoxy-1,3-benzodioxol-5-yl)methyl]piperazine; ethanedioic acid Openeye Name: 1-[(3-bromophenyl)methyl]-4-[(7-methoxy-1,3-benzodioxol-5-yl)methyl]piperazine; oxalic acid CAS Name: 1-[(3-bromophenyl)methyl]-4-[(7-methoxy-1,3-benzodioxol-5-yl)methyl]piperazine; oxalic acid IUPAC Name: 1-[(3-bromophenyl)methyl]-4-[(7-methoxy-1,3-benzodioxol-5-yl)methyl]piperazine; oxalic acid Traditional Name: 1-(3-bromobenzyl)-4-[(7-methoxy-1,3-benzodioxol-5-yl)methyl]piperazine; oxalic acid Formula: C22H25BrN2O7 MolecularWeight: 509.3471

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC2=C1OCO2)CN3CCN(CC3)CC4=CC(=CC=C4)Br.C(=O)(C(=O)O)O

Isomeric SMILES

COC1=CC(=CC2=C1OCO2)CN3CCN(CC3)CC4=CC(=CC=C4)Br.C(=O)(C(=O)O)O

InChI

InChI=1S/C20H23BrN2O3.C2H2O4/c1-24-18-10-16(11-19-20(18)26-14-25-19)13-23-7-5-22(6-8-23)12-15-3-2-4-17(21)9-15;3-1(4)2(5)6/h2-4,9-11H,5-8,12-14H2,1H3;(H,3,4)(H,5,6)