1-[(3-bromophenyl)methyl]-4-cyclohexyl-piperazine; ethanedioic acid

Systemtic Name: 1-[(3-bromophenyl)methyl]-4-cyclohexyl-piperazine; ethanedioic acid Openeye Name: 1-[(3-bromophenyl)methyl]-4-cyclohexyl-piperazine; oxalic acid CAS Name: 1-[(3-bromophenyl)methyl]-4-cyclohexylpiperazine; oxalic acid IUPAC Name: 1-[(3-bromophenyl)methyl]-4-cyclohexylpiperazine; oxalic acid Traditional Name: 1-(3-bromobenzyl)-4-cyclohexyl-piperazine; oxalic acid Formula: C19H27BrN2O4 MolecularWeight: 427.33268

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)N2CCN(CC2)CC3=CC(=CC=C3)Br.C(=O)(C(=O)O)O

Isomeric SMILES

C1CCC(CC1)N2CCN(CC2)CC3=CC(=CC=C3)Br.C(=O)(C(=O)O)O

InChI

InChI=1S/C17H25BrN2.C2H2O4/c18-16-6-4-5-15(13-16)14-19-9-11-20(12-10-19)17-7-2-1-3-8-17;3-1(4)2(5)6/h4-6,13,17H,1-3,7-12,14H2;(H,3,4)(H,5,6)