1-[2-[2-(2-bromanyl-4,6-dimethyl-phenoxy)ethoxy]ethyl]piperazine; ethanedioic acid

Systemtic Name: 1-[2-[2-(2-bromanyl-4,6-dimethyl-phenoxy)ethoxy]ethyl]piperazine; ethanedioic acid Openeye Name: 1-[2-[2-(2-bromo-4,6-dimethyl-phenoxy)ethoxy]ethyl]piperazine; oxalic acid CAS Name: 1-[2-[2-(2-bromo-4,6-dimethylphenoxy)ethoxy]ethyl]piperazine; oxalic acid IUPAC Name: 1-[2-[2-(2-bromo-4,6-dimethylphenoxy)ethoxy]ethyl]piperazine; oxalic acid Traditional Name: 1-[2-[2-(2-bromo-4,6-dimethyl-phenoxy)ethoxy]ethyl]piperazine; oxalic acid Formula: C18H27BrN2O6 MolecularWeight: 447.32078

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1)Br)OCCOCCN2CCNCC2)C.C(=O)(C(=O)O)O

Isomeric SMILES

CC1=CC(=C(C(=C1)Br)OCCOCCN2CCNCC2)C.C(=O)(C(=O)O)O

InChI

InChI=1S/C16H25BrN2O2.C2H2O4/c1-13-11-14(2)16(15(17)12-13)21-10-9-20-8-7-19-5-3-18-4-6-19;3-1(4)2(5)6/h11-12,18H,3-10H2,1-2H3;(H,3,4)(H,5,6)