4-bromanyl-2-[[4-(pyridin-3-ylmethyl)piperazin-1-yl]methyl]phenol; ethanedioic acid

Systemtic Name: 4-bromanyl-2-[[4-(pyridin-3-ylmethyl)piperazin-1-yl]methyl]phenol; ethanedioic acid Openeye Name: 4-bromo-2-[[4-(3-pyridylmethyl)piperazin-1-yl]methyl]phenol; oxalic acid CAS Name: 4-bromo-2-[[4-(3-pyridinylmethyl)-1-piperazinyl]methyl]phenol; oxalic acid IUPAC Name: 4-bromo-2-[[4-(pyridin-3-ylmethyl)piperazin-1-yl]methyl]phenol; oxalic acid Traditional Name: 4-bromo-2-[[4-(3-pyridylmethyl)piperazino]methyl]phenol; oxalic acid Formula: C19H22BrN3O5 MolecularWeight: 452.29908

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=CN=CC=C2)CC3=C(C=CC(=C3)Br)O.C(=O)(C(=O)O)O

Isomeric SMILES

C1CN(CCN1CC2=CN=CC=C2)CC3=C(C=CC(=C3)Br)O.C(=O)(C(=O)O)O

InChI

InChI=1S/C17H20BrN3O.C2H2O4/c18-16-3-4-17(22)15(10-16)13-21-8-6-20(7-9-21)12-14-2-1-5-19-11-14;3-1(4)2(5)6/h1-5,10-11,22H,6-9,12-13H2;(H,3,4)(H,5,6)