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

Systemtic Name: 1-[(3-bromanyl-4-methoxy-phenyl)methyl]-4-(pyridin-4-ylmethyl)piperazine; ethanedioic acid Openeye Name: 1-[(3-bromo-4-methoxy-phenyl)methyl]-4-(4-pyridylmethyl)piperazine; oxalic acid CAS Name: 1-[(3-bromo-4-methoxyphenyl)methyl]-4-(pyridin-4-ylmethyl)piperazine; oxalic acid IUPAC Name: 1-[(3-bromo-4-methoxyphenyl)methyl]-4-(pyridin-4-ylmethyl)piperazine; oxalic acid Traditional Name: 1-(3-bromo-4-methoxy-benzyl)-4-(4-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)CN2CCN(CC2)CC3=CC=NC=C3)Br.C(=O)(C(=O)O)O

Isomeric SMILES

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

InChI

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