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

Systemtic Name: 1-[(5-bromanyl-2-methoxy-phenyl)methyl]-4-piperidin-1-yl-piperidine; ethanedioic acid Openeye Name: 1-[(5-bromo-2-methoxy-phenyl)methyl]-4-(1-piperidyl)piperidine; oxalic acid CAS Name: 1-[(5-bromo-2-methoxyphenyl)methyl]-4-(1-piperidinyl)piperidine; oxalic acid IUPAC Name: 1-[(5-bromo-2-methoxyphenyl)methyl]-4-piperidin-1-ylpiperidine; oxalic acid Traditional Name: 1-(5-bromo-2-methoxy-benzyl)-4-piperidino-piperidine; oxalic acid Formula: C20H29BrN2O5 MolecularWeight: 457.35866

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H27BrN2O.C2H2O4/c1-22-18-6-5-16(19)13-15(18)14-20-11-7-17(8-12-20)21-9-3-2-4-10-21;3-1(4)2(5)6/h5-6,13,17H,2-4,7-12,14H2,1H3;(H,3,4)(H,5,6)