[1-[(5-bromanyl-2-oxidanyl-phenyl)methyl]piperidin-3-yl]-piperidin-1-yl-methanone; ethanedioic acid

Systemtic Name: [1-[(5-bromanyl-2-oxidanyl-phenyl)methyl]piperidin-3-yl]-piperidin-1-yl-methanone; ethanedioic acid Openeye Name: [1-[(5-bromo-2-hydroxy-phenyl)methyl]-3-piperidyl]-(1-piperidyl)methanone; oxalic acid CAS Name: [1-[(5-bromo-2-hydroxyphenyl)methyl]-3-piperidinyl]-(1-piperidinyl)methanone; oxalic acid IUPAC Name: [1-[(5-bromo-2-hydroxyphenyl)methyl]piperidin-3-yl]-piperidin-1-ylmethanone; oxalic acid Traditional Name: [1-(5-bromo-2-hydroxy-benzyl)-3-piperidyl]-piperidino-methanone; oxalic acid Formula: C20H27BrN2O6 MolecularWeight: 471.34218

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)C(=O)C2CCCN(C2)CC3=C(C=CC(=C3)Br)O.C(=O)(C(=O)O)O

Isomeric SMILES

C1CCN(CC1)C(=O)C2CCCN(C2)CC3=C(C=CC(=C3)Br)O.C(=O)(C(=O)O)O

InChI

InChI=1S/C18H25BrN2O2.C2H2O4/c19-16-6-7-17(22)15(11-16)13-20-8-4-5-14(12-20)18(23)21-9-2-1-3-10-21;3-1(4)2(5)6/h6-7,11,14,22H,1-5,8-10,12-13H2;(H,3,4)(H,5,6)