2-[4-[1-[(5-bromanyl-2-methoxy-phenyl)methyl]piperidin-4-yl]piperazin-1-yl]ethanol; ethanedioic acid

Systemtic Name: 2-[4-[1-[(5-bromanyl-2-methoxy-phenyl)methyl]piperidin-4-yl]piperazin-1-yl]ethanol; ethanedioic acid Openeye Name: 2-[4-[1-[(5-bromo-2-methoxy-phenyl)methyl]-4-piperidyl]piperazin-1-yl]ethanol; oxalic acid CAS Name: 2-[4-[1-[(5-bromo-2-methoxyphenyl)methyl]-4-piperidinyl]-1-piperazinyl]ethanol; oxalic acid IUPAC Name: 2-[4-[1-[(5-bromo-2-methoxyphenyl)methyl]piperidin-4-yl]piperazin-1-yl]ethanol; oxalic acid Traditional Name: 2-[4-[1-(5-bromo-2-methoxy-benzyl)-4-piperidyl]piperazino]ethanol; oxalic acid Formula: C21H32BrN3O6 MolecularWeight: 502.39928

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)Br)CN2CCC(CC2)N3CCN(CC3)CCO.C(=O)(C(=O)O)O

Isomeric SMILES

COC1=C(C=C(C=C1)Br)CN2CCC(CC2)N3CCN(CC3)CCO.C(=O)(C(=O)O)O

InChI

InChI=1S/C19H30BrN3O2.C2H2O4/c1-25-19-3-2-17(20)14-16(19)15-22-6-4-18(5-7-22)23-10-8-21(9-11-23)12-13-24;3-1(4)2(5)6/h2-3,14,18,24H,4-13,15H2,1H3;(H,3,4)(H,5,6)