1-[(3-bromanyl-4-methoxy-phenyl)methyl]-4-butan-2-yl-piperazine; ethanedioic acid

Systemtic Name: 1-[(3-bromanyl-4-methoxy-phenyl)methyl]-4-butan-2-yl-piperazine; ethanedioic acid Openeye Name: 1-[(3-bromo-4-methoxy-phenyl)methyl]-4-sec-butyl-piperazine; oxalic acid CAS Name: 1-[(3-bromo-4-methoxyphenyl)methyl]-4-butan-2-ylpiperazine; oxalic acid IUPAC Name: 1-[(3-bromo-4-methoxyphenyl)methyl]-4-butan-2-ylpiperazine; oxalic acid Traditional Name: 1-(3-bromo-4-methoxy-benzyl)-4-sec-butyl-piperazine; oxalic acid Formula: C18H27BrN2O5 MolecularWeight: 431.32138

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)N1CCN(CC1)CC2=CC(=C(C=C2)OC)Br.C(=O)(C(=O)O)O

Isomeric SMILES

CCC(C)N1CCN(CC1)CC2=CC(=C(C=C2)OC)Br.C(=O)(C(=O)O)O

InChI

InChI=1S/C16H25BrN2O.C2H2O4/c1-4-13(2)19-9-7-18(8-10-19)12-14-5-6-16(20-3)15(17)11-14;3-1(4)2(5)6/h5-6,11,13H,4,7-10,12H2,1-3H3;(H,3,4)(H,5,6)