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

Systemtic Name: 1-(2-adamantyl)-4-[(5-bromanyl-2-methoxy-phenyl)methyl]piperazine; ethanedioic acid Openeye Name: 1-(2-adamantyl)-4-[(5-bromo-2-methoxy-phenyl)methyl]piperazine; oxalic acid CAS Name: 1-(2-adamantyl)-4-[(5-bromo-2-methoxyphenyl)methyl]piperazine; oxalic acid IUPAC Name: 1-(2-adamantyl)-4-[(5-bromo-2-methoxyphenyl)methyl]piperazine; oxalic acid Traditional Name: 1-(2-adamantyl)-4-(5-bromo-2-methoxy-benzyl)piperazine; oxalic acid Formula: C24H33BrN2O5 MolecularWeight: 509.43322

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)Br)CN2CCN(CC2)C3C4CC5CC(C4)CC3C5.C(=O)(C(=O)O)O

Isomeric SMILES

COC1=C(C=C(C=C1)Br)CN2CCN(CC2)C3C4CC5CC(C4)CC3C5.C(=O)(C(=O)O)O

InChI

InChI=1S/C22H31BrN2O.C2H2O4/c1-26-21-3-2-20(23)13-19(21)14-24-4-6-25(7-5-24)22-17-9-15-8-16(11-17)12-18(22)10-15;3-1(4)2(5)6/h2-3,13,15-18,22H,4-12,14H2,1H3;(H,3,4)(H,5,6)