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

Systemtic Name: 4-bromanyl-2-[[4-(3-phenylpropyl)piperazin-1-yl]methyl]phenol; ethanedioic acid Openeye Name: 4-bromo-2-[[4-(3-phenylpropyl)piperazin-1-yl]methyl]phenol; oxalic acid CAS Name: 4-bromo-2-[[4-(3-phenylpropyl)-1-piperazinyl]methyl]phenol; oxalic acid IUPAC Name: 4-bromo-2-[[4-(3-phenylpropyl)piperazin-1-yl]methyl]phenol; oxalic acid Traditional Name: 4-bromo-2-[[4-(3-phenylpropyl)piperazino]methyl]phenol; oxalic acid Formula: C22H27BrN2O5 MolecularWeight: 479.36418

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CCCC2=CC=CC=C2)CC3=C(C=CC(=C3)Br)O.C(=O)(C(=O)O)O

Isomeric SMILES

C1CN(CCN1CCCC2=CC=CC=C2)CC3=C(C=CC(=C3)Br)O.C(=O)(C(=O)O)O

InChI

InChI=1S/C20H25BrN2O.C2H2O4/c21-19-8-9-20(24)18(15-19)16-23-13-11-22(12-14-23)10-4-7-17-5-2-1-3-6-17;3-1(4)2(5)6/h1-3,5-6,8-9,15,24H,4,7,10-14,16H2;(H,3,4)(H,5,6)