1-(1,3-benzodioxol-5-ylmethyl)-4-[(3-bromanyl-4-methoxy-phenyl)methyl]piperazine; ethanedioic acid

Systemtic Name: 1-(1,3-benzodioxol-5-ylmethyl)-4-[(3-bromanyl-4-methoxy-phenyl)methyl]piperazine; ethanedioic acid Openeye Name: 1-(1,3-benzodioxol-5-ylmethyl)-4-[(3-bromo-4-methoxy-phenyl)methyl]piperazine; oxalic acid CAS Name: 1-(1,3-benzodioxol-5-ylmethyl)-4-[(3-bromo-4-methoxyphenyl)methyl]piperazine; oxalic acid IUPAC Name: 1-(1,3-benzodioxol-5-ylmethyl)-4-[(3-bromo-4-methoxyphenyl)methyl]piperazine; oxalic acid Traditional Name: 1-(3-bromo-4-methoxy-benzyl)-4-piperonyl-piperazine; oxalic acid Formula: C22H25BrN2O7 MolecularWeight: 509.3471

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CN2CCN(CC2)CC3=CC4=C(C=C3)OCO4)Br.C(=O)(C(=O)O)O

Isomeric SMILES

COC1=C(C=C(C=C1)CN2CCN(CC2)CC3=CC4=C(C=C3)OCO4)Br.C(=O)(C(=O)O)O

InChI

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