4-bromanyl-2-[(4-cyclohexylpiperazin-1-yl)methyl]phenol; ethanedioic acid

Systemtic Name: 4-bromanyl-2-[(4-cyclohexylpiperazin-1-yl)methyl]phenol; ethanedioic acid Openeye Name: 4-bromo-2-[(4-cyclohexylpiperazin-1-yl)methyl]phenol; oxalic acid CAS Name: 4-bromo-2-[(4-cyclohexyl-1-piperazinyl)methyl]phenol; oxalic acid IUPAC Name: 4-bromo-2-[(4-cyclohexylpiperazin-1-yl)methyl]phenol; oxalic acid Traditional Name: 4-bromo-2-[(4-cyclohexylpiperazino)methyl]phenol; oxalic acid Formula: C19H27BrN2O5 MolecularWeight: 443.33208

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H25BrN2O.C2H2O4/c18-15-6-7-17(21)14(12-15)13-19-8-10-20(11-9-19)16-4-2-1-3-5-16;3-1(4)2(5)6/h6-7,12,16,21H,1-5,8-11,13H2;(H,3,4)(H,5,6)