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

Systemtic Name: 4-bromanyl-2-[[4-[4-(2-hydroxyethyl)piperazin-1-yl]piperidin-1-yl]methyl]phenol; ethanedioic acid Openeye Name: 4-bromo-2-[[4-[4-(2-hydroxyethyl)piperazin-1-yl]-1-piperidyl]methyl]phenol; oxalic acid CAS Name: 4-bromo-2-[[4-[4-(2-hydroxyethyl)-1-piperazinyl]-1-piperidinyl]methyl]phenol; oxalic acid IUPAC Name: 4-bromo-2-[[4-[4-(2-hydroxyethyl)piperazin-1-yl]piperidin-1-yl]methyl]phenol; oxalic acid Traditional Name: 4-bromo-2-[[4-[4-(2-hydroxyethyl)piperazino]piperidino]methyl]phenol; oxalic acid Formula: C20H30BrN3O6 MolecularWeight: 488.3727

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1N2CCN(CC2)CCO)CC3=C(C=CC(=C3)Br)O.C(=O)(C(=O)O)O

Isomeric SMILES

C1CN(CCC1N2CCN(CC2)CCO)CC3=C(C=CC(=C3)Br)O.C(=O)(C(=O)O)O

InChI

InChI=1S/C18H28BrN3O2.C2H2O4/c19-16-1-2-18(24)15(13-16)14-21-5-3-17(4-6-21)22-9-7-20(8-10-22)11-12-23;3-1(4)2(5)6/h1-2,13,17,23-24H,3-12,14H2;(H,3,4)(H,5,6)