1-[(2-bromanyl-4,5-dimethoxy-phenyl)methyl]-4-piperidin-1-yl-piperidine; ethanedioic acid

Systemtic Name: 1-[(2-bromanyl-4,5-dimethoxy-phenyl)methyl]-4-piperidin-1-yl-piperidine; ethanedioic acid Openeye Name: 1-[(2-bromo-4,5-dimethoxy-phenyl)methyl]-4-(1-piperidyl)piperidine; oxalic acid CAS Name: 1-[(2-bromo-4,5-dimethoxyphenyl)methyl]-4-(1-piperidinyl)piperidine; oxalic acid IUPAC Name: 1-[(2-bromo-4,5-dimethoxyphenyl)methyl]-4-piperidin-1-ylpiperidine; oxalic acid Traditional Name: 1-(2-bromo-4,5-dimethoxy-benzyl)-4-piperidino-piperidine; oxalic acid Formula: C21H31BrN2O6 MolecularWeight: 487.38464

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C(=C1)CN2CCC(CC2)N3CCCCC3)Br)OC.C(=O)(C(=O)O)O

Isomeric SMILES

COC1=C(C=C(C(=C1)CN2CCC(CC2)N3CCCCC3)Br)OC.C(=O)(C(=O)O)O

InChI

InChI=1S/C19H29BrN2O2.C2H2O4/c1-23-18-12-15(17(20)13-19(18)24-2)14-21-10-6-16(7-11-21)22-8-4-3-5-9-22;3-1(4)2(5)6/h12-13,16H,3-11,14H2,1-2H3;(H,3,4)(H,5,6)