1-[(5-bromanyl-2-methoxy-phenyl)methyl]-4-(3-methylpiperidin-1-yl)piperidine; ethanedioic acid

Systemtic Name: 1-[(5-bromanyl-2-methoxy-phenyl)methyl]-4-(3-methylpiperidin-1-yl)piperidine; ethanedioic acid Openeye Name: 1-[(5-bromo-2-methoxy-phenyl)methyl]-4-(3-methyl-1-piperidyl)piperidine; oxalic acid CAS Name: 1-[(5-bromo-2-methoxyphenyl)methyl]-4-(3-methyl-1-piperidinyl)piperidine; oxalic acid IUPAC Name: 1-[(5-bromo-2-methoxyphenyl)methyl]-4-(3-methylpiperidin-1-yl)piperidine; oxalic acid Traditional Name: 1-(5-bromo-2-methoxy-benzyl)-4-(3-methylpiperidino)piperidine; oxalic acid Formula: C21H31BrN2O5 MolecularWeight: 471.38524

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCN(C1)C2CCN(CC2)CC3=C(C=CC(=C3)Br)OC.C(=O)(C(=O)O)O

Isomeric SMILES

CC1CCCN(C1)C2CCN(CC2)CC3=C(C=CC(=C3)Br)OC.C(=O)(C(=O)O)O

InChI

InChI=1S/C19H29BrN2O.C2H2O4/c1-15-4-3-9-22(13-15)18-7-10-21(11-8-18)14-16-12-17(20)5-6-19(16)23-2;3-1(4)2(5)6/h5-6,12,15,18H,3-4,7-11,13-14H2,1-2H3;(H,3,4)(H,5,6)