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

Systemtic Name: 4-bromanyl-2-[[4-(4-phenylpiperazin-1-yl)piperidin-1-yl]methyl]phenol; ethanedioic acid Openeye Name: 4-bromo-2-[[4-(4-phenylpiperazin-1-yl)-1-piperidyl]methyl]phenol; oxalic acid CAS Name: 4-bromo-2-[[4-(4-phenyl-1-piperazinyl)-1-piperidinyl]methyl]phenol; oxalic acid IUPAC Name: 4-bromo-2-[[4-(4-phenylpiperazin-1-yl)piperidin-1-yl]methyl]phenol; oxalic acid Traditional Name: 4-bromo-2-[[4-(4-phenylpiperazino)piperidino]methyl]phenol; oxalic acid Formula: C24H30BrN3O5 MolecularWeight: 520.4161

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1N2CCN(CC2)C3=CC=CC=C3)CC4=C(C=CC(=C4)Br)O.C(=O)(C(=O)O)O

Isomeric SMILES

C1CN(CCC1N2CCN(CC2)C3=CC=CC=C3)CC4=C(C=CC(=C4)Br)O.C(=O)(C(=O)O)O

InChI

InChI=1S/C22H28BrN3O.C2H2O4/c23-19-6-7-22(27)18(16-19)17-24-10-8-21(9-11-24)26-14-12-25(13-15-26)20-4-2-1-3-5-20;3-1(4)2(5)6/h1-7,16,21,27H,8-15,17H2;(H,3,4)(H,5,6)