1-[(5-bromanyl-2-methoxy-phenyl)methyl]-4-cyclopentyl-piperazine; ethanedioic acid

Systemtic Name: 1-[(5-bromanyl-2-methoxy-phenyl)methyl]-4-cyclopentyl-piperazine; ethanedioic acid Openeye Name: 1-[(5-bromo-2-methoxy-phenyl)methyl]-4-cyclopentyl-piperazine; oxalic acid CAS Name: 1-[(5-bromo-2-methoxyphenyl)methyl]-4-cyclopentylpiperazine; oxalic acid IUPAC Name: 1-[(5-bromo-2-methoxyphenyl)methyl]-4-cyclopentylpiperazine; oxalic acid Traditional Name: 1-(5-bromo-2-methoxy-benzyl)-4-cyclopentyl-piperazine; oxalic acid Formula: C19H27BrN2O5 MolecularWeight: 443.33208

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)Br)CN2CCN(CC2)C3CCCC3.C(=O)(C(=O)O)O

Isomeric SMILES

COC1=C(C=C(C=C1)Br)CN2CCN(CC2)C3CCCC3.C(=O)(C(=O)O)O

InChI

InChI=1S/C17H25BrN2O.C2H2O4/c1-21-17-7-6-15(18)12-14(17)13-19-8-10-20(11-9-19)16-4-2-3-5-16;3-1(4)2(5)6/h6-7,12,16H,2-5,8-11,13H2,1H3;(H,3,4)(H,5,6)