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

Systemtic Name: 1-[(5-bromanyl-2-methoxy-phenyl)methyl]-4-cycloheptyl-piperazine; ethanedioic acid Openeye Name: 1-[(5-bromo-2-methoxy-phenyl)methyl]-4-cycloheptyl-piperazine; oxalic acid CAS Name: 1-[(5-bromo-2-methoxyphenyl)methyl]-4-cycloheptylpiperazine; oxalic acid IUPAC Name: 1-[(5-bromo-2-methoxyphenyl)methyl]-4-cycloheptylpiperazine; oxalic acid Traditional Name: 1-(5-bromo-2-methoxy-benzyl)-4-cycloheptyl-piperazine; oxalic acid Formula: C21H31BrN2O5 MolecularWeight: 471.38524

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)Br)CN2CCN(CC2)C3CCCCCC3.C(=O)(C(=O)O)O

Isomeric SMILES

COC1=C(C=C(C=C1)Br)CN2CCN(CC2)C3CCCCCC3.C(=O)(C(=O)O)O

InChI

InChI=1S/C19H29BrN2O.C2H2O4/c1-23-19-9-8-17(20)14-16(19)15-21-10-12-22(13-11-21)18-6-4-2-3-5-7-18;3-1(4)2(5)6/h8-9,14,18H,2-7,10-13,15H2,1H3;(H,3,4)(H,5,6)