1-[(5-bromanyl-2-methoxy-phenyl)methyl]-4-(pyridin-3-ylmethyl)piperazine; ethanedioic acid

Systemtic Name: 1-[(5-bromanyl-2-methoxy-phenyl)methyl]-4-(pyridin-3-ylmethyl)piperazine; ethanedioic acid Openeye Name: 1-[(5-bromo-2-methoxy-phenyl)methyl]-4-(3-pyridylmethyl)piperazine; oxalic acid CAS Name: 1-[(5-bromo-2-methoxyphenyl)methyl]-4-(3-pyridinylmethyl)piperazine; oxalic acid IUPAC Name: 1-[(5-bromo-2-methoxyphenyl)methyl]-4-(pyridin-3-ylmethyl)piperazine; oxalic acid Traditional Name: 1-(5-bromo-2-methoxy-benzyl)-4-(3-pyridylmethyl)piperazine; oxalic acid Formula: C20H24BrN3O5 MolecularWeight: 466.32566

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)Br)CN2CCN(CC2)CC3=CN=CC=C3.C(=O)(C(=O)O)O

Isomeric SMILES

COC1=C(C=C(C=C1)Br)CN2CCN(CC2)CC3=CN=CC=C3.C(=O)(C(=O)O)O

InChI

InChI=1S/C18H22BrN3O.C2H2O4/c1-23-18-5-4-17(19)11-16(18)14-22-9-7-21(8-10-22)13-15-3-2-6-20-12-15;3-1(4)2(5)6/h2-6,11-12H,7-10,13-14H2,1H3;(H,3,4)(H,5,6)