1-[(3-bromophenyl)methyl]-4-(2-methylcyclohexyl)piperazine; ethanedioic acid

Systemtic Name: 1-[(3-bromophenyl)methyl]-4-(2-methylcyclohexyl)piperazine; ethanedioic acid Openeye Name: 1-[(3-bromophenyl)methyl]-4-(2-methylcyclohexyl)piperazine; oxalic acid CAS Name: 1-[(3-bromophenyl)methyl]-4-(2-methylcyclohexyl)piperazine; oxalic acid IUPAC Name: 1-[(3-bromophenyl)methyl]-4-(2-methylcyclohexyl)piperazine; oxalic acid Traditional Name: 1-(3-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(=CC=C3)Br.C(=O)(C(=O)O)O

Isomeric SMILES

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

InChI

InChI=1S/C18H27BrN2.C2H2O4/c1-15-5-2-3-8-18(15)21-11-9-20(10-12-21)14-16-6-4-7-17(19)13-16;3-1(4)2(5)6/h4,6-7,13,15,18H,2-3,5,8-12,14H2,1H3;(H,3,4)(H,5,6)