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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)Br)OCCOCCN2CCN(CC2)C.C(=O)(C(=O)O)O

Isomeric SMILES

CC1=C(C=CC(=C1)Br)OCCOCCN2CCN(CC2)C.C(=O)(C(=O)O)O

InChI

InChI=1S/C16H25BrN2O2.C2H2O4/c1-14-13-15(17)3-4-16(14)21-12-11-20-10-9-19-7-5-18(2)6-8-19;3-1(4)2(5)6/h3-4,13H,5-12H2,1-2H3;(H,3,4)(H,5,6)