1-[(3-bromanyl-4-methoxy-phenyl)methyl]-4-[1-(phenylmethyl)piperidin-4-yl]piperazine; ethanedioic acid

Systemtic Name: 1-[(3-bromanyl-4-methoxy-phenyl)methyl]-4-[1-(phenylmethyl)piperidin-4-yl]piperazine; ethanedioic acid Openeye Name: 1-(1-benzyl-4-piperidyl)-4-[(3-bromo-4-methoxy-phenyl)methyl]piperazine; oxalic acid CAS Name: 1-[(3-bromo-4-methoxyphenyl)methyl]-4-[1-(phenylmethyl)-4-piperidinyl]piperazine; oxalic acid IUPAC Name: 1-(1-benzylpiperidin-4-yl)-4-[(3-bromo-4-methoxyphenyl)methyl]piperazine; oxalic acid Traditional Name: 1-(1-benzyl-4-piperidyl)-4-(3-bromo-4-methoxy-benzyl)piperazine; oxalic acid Formula: C26H34BrN3O5 MolecularWeight: 548.46926

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CN2CCN(CC2)C3CCN(CC3)CC4=CC=CC=C4)Br.C(=O)(C(=O)O)O

Isomeric SMILES

COC1=C(C=C(C=C1)CN2CCN(CC2)C3CCN(CC3)CC4=CC=CC=C4)Br.C(=O)(C(=O)O)O

InChI

InChI=1S/C24H32BrN3O.C2H2O4/c1-29-24-8-7-21(17-23(24)25)19-27-13-15-28(16-14-27)22-9-11-26(12-10-22)18-20-5-3-2-4-6-20;3-1(4)2(5)6/h2-8,17,22H,9-16,18-19H2,1H3;(H,3,4)(H,5,6)