1-[3-(4-bromanyl-2-chloranyl-phenoxy)propyl]piperidine; ethanedioic acid

Systemtic Name: 1-[3-(4-bromanyl-2-chloranyl-phenoxy)propyl]piperidine; ethanedioic acid Openeye Name: 1-[3-(4-bromo-2-chloro-phenoxy)propyl]piperidine; oxalic acid CAS Name: 1-[3-(4-bromo-2-chlorophenoxy)propyl]piperidine; oxalic acid IUPAC Name: 1-[3-(4-bromo-2-chlorophenoxy)propyl]piperidine; oxalic acid Traditional Name: 1-[3-(4-bromo-2-chloro-phenoxy)propyl]piperidine; oxalic acid Formula: C16H21BrClNO5 MolecularWeight: 422.69864

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)CCCOC2=C(C=C(C=C2)Br)Cl.C(=O)(C(=O)O)O

Isomeric SMILES

C1CCN(CC1)CCCOC2=C(C=C(C=C2)Br)Cl.C(=O)(C(=O)O)O

InChI

InChI=1S/C14H19BrClNO.C2H2O4/c15-12-5-6-14(13(16)11-12)18-10-4-9-17-7-2-1-3-8-17;3-1(4)2(5)6/h5-6,11H,1-4,7-10H2;(H,3,4)(H,5,6)