1-[(4-bromophenyl)methyl]-4-(2-methylcyclohexyl)piperazine; ethanedioic acid

Systemtic Name: 1-[(4-bromophenyl)methyl]-4-(2-methylcyclohexyl)piperazine; ethanedioic acid Openeye Name: 1-[(4-bromophenyl)methyl]-4-(2-methylcyclohexyl)piperazine; oxalic acid CAS Name: 1-[(4-bromophenyl)methyl]-4-(2-methylcyclohexyl)piperazine; oxalic acid IUPAC Name: 1-[(4-bromophenyl)methyl]-4-(2-methylcyclohexyl)piperazine; oxalic acid Traditional Name: 1-(4-bromobenzyl)-4-(2-methylcyclohexyl)piperazine; oxalic acid Formula: C20H29BrN2O4 MolecularWeight: 441.35926

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCCC1N2CCN(CC2)CC3=CC=C(C=C3)Br.C(=O)(C(=O)O)O

Isomeric SMILES

CC1CCCCC1N2CCN(CC2)CC3=CC=C(C=C3)Br.C(=O)(C(=O)O)O

InChI

InChI=1S/C18H27BrN2.C2H2O4/c1-15-4-2-3-5-18(15)21-12-10-20(11-13-21)14-16-6-8-17(19)9-7-16;3-1(4)2(5)6/h6-9,15,18H,2-5,10-14H2,1H3;(H,3,4)(H,5,6)