1-(4-bromanylphenoxy)-3-[methyl-(1-methylpiperidin-4-yl)amino]propan-2-ol; ethanedioic acid

Systemtic Name: 1-(4-bromanylphenoxy)-3-[methyl-(1-methylpiperidin-4-yl)amino]propan-2-ol; ethanedioic acid Openeye Name: 1-(4-bromophenoxy)-3-[methyl-(1-methyl-4-piperidyl)amino]propan-2-ol; oxalic acid CAS Name: 1-(4-bromophenoxy)-3-[methyl-(1-methyl-4-piperidinyl)amino]-2-propanol; oxalic acid IUPAC Name: 1-(4-bromophenoxy)-3-[methyl-(1-methylpiperidin-4-yl)amino]propan-2-ol; oxalic acid Traditional Name: 1-(4-bromophenoxy)-3-[methyl-(1-methyl-4-piperidyl)amino]propan-2-ol; oxalic acid Formula: C20H29BrN2O10 MolecularWeight: 537.35566

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCC(CC1)N(C)CC(COC2=CC=C(C=C2)Br)O.C(=O)(C(=O)O)O.C(=O)(C(=O)O)O

Isomeric SMILES

CN1CCC(CC1)N(C)CC(COC2=CC=C(C=C2)Br)O.C(=O)(C(=O)O)O.C(=O)(C(=O)O)O

InChI

InChI=1S/C16H25BrN2O2.2C2H2O4/c1-18-9-7-14(8-10-18)19(2)11-15(20)12-21-16-5-3-13(17)4-6-16;2*3-1(4)2(5)6/h3-6,14-15,20H,7-12H2,1-2H3;2*(H,3,4)(H,5,6)