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

Systemtic Name: 1-[1-[(5-bromanyl-2-methoxy-phenyl)methyl]piperidin-4-yl]-4-ethyl-piperazine; ethanedioic acid Openeye Name: 1-[1-[(5-bromo-2-methoxy-phenyl)methyl]-4-piperidyl]-4-ethyl-piperazine; oxalic acid CAS Name: 1-[1-[(5-bromo-2-methoxyphenyl)methyl]-4-piperidinyl]-4-ethylpiperazine; oxalic acid IUPAC Name: 1-[1-[(5-bromo-2-methoxyphenyl)methyl]piperidin-4-yl]-4-ethylpiperazine; oxalic acid Traditional Name: 1-[1-(5-bromo-2-methoxy-benzyl)-4-piperidyl]-4-ethyl-piperazine; oxalic acid Formula: C21H32BrN3O5 MolecularWeight: 486.39988

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Descriptors Computed from Structure

Canonical SMILES:

CCN1CCN(CC1)C2CCN(CC2)CC3=C(C=CC(=C3)Br)OC.C(=O)(C(=O)O)O

Isomeric SMILES

CCN1CCN(CC1)C2CCN(CC2)CC3=C(C=CC(=C3)Br)OC.C(=O)(C(=O)O)O

InChI

InChI=1S/C19H30BrN3O.C2H2O4/c1-3-21-10-12-23(13-11-21)18-6-8-22(9-7-18)15-16-14-17(20)4-5-19(16)24-2;3-1(4)2(5)6/h4-5,14,18H,3,6-13,15H2,1-2H3;(H,3,4)(H,5,6)