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

Systemtic Name: 1-[1-[(5-bromanyl-2-methoxy-phenyl)methyl]piperidin-4-yl]-4-phenyl-piperazine; ethanedioic acid Openeye Name: 1-[1-[(5-bromo-2-methoxy-phenyl)methyl]-4-piperidyl]-4-phenyl-piperazine; oxalic acid CAS Name: 1-[1-[(5-bromo-2-methoxyphenyl)methyl]-4-piperidinyl]-4-phenylpiperazine; oxalic acid IUPAC Name: 1-[1-[(5-bromo-2-methoxyphenyl)methyl]piperidin-4-yl]-4-phenylpiperazine; oxalic acid Traditional Name: 1-[1-(5-bromo-2-methoxy-benzyl)-4-piperidyl]-4-phenyl-piperazine; oxalic acid Formula: C25H32BrN3O5 MolecularWeight: 534.44268

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)Br)CN2CCC(CC2)N3CCN(CC3)C4=CC=CC=C4.C(=O)(C(=O)O)O

Isomeric SMILES

COC1=C(C=C(C=C1)Br)CN2CCC(CC2)N3CCN(CC3)C4=CC=CC=C4.C(=O)(C(=O)O)O

InChI

InChI=1S/C23H30BrN3O.C2H2O4/c1-28-23-8-7-20(24)17-19(23)18-25-11-9-22(10-12-25)27-15-13-26(14-16-27)21-5-3-2-4-6-21;3-1(4)2(5)6/h2-8,17,22H,9-16,18H2,1H3;(H,3,4)(H,5,6)