1-[6-(2-bromanyl-4-methyl-phenoxy)hexyl]piperazine; ethanedioic acid

Systemtic Name: 1-[6-(2-bromanyl-4-methyl-phenoxy)hexyl]piperazine; ethanedioic acid Openeye Name: 1-[6-(2-bromo-4-methyl-phenoxy)hexyl]piperazine; oxalic acid CAS Name: 1-[6-(2-bromo-4-methylphenoxy)hexyl]piperazine; oxalic acid IUPAC Name: 1-[6-(2-bromo-4-methylphenoxy)hexyl]piperazine; oxalic acid Traditional Name: 1-[6-(2-bromo-4-methyl-phenoxy)hexyl]piperazine; oxalic acid Formula: C19H29BrN2O5 MolecularWeight: 445.34796

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)OCCCCCCN2CCNCC2)Br.C(=O)(C(=O)O)O

Isomeric SMILES

CC1=CC(=C(C=C1)OCCCCCCN2CCNCC2)Br.C(=O)(C(=O)O)O

InChI

InChI=1S/C17H27BrN2O.C2H2O4/c1-15-6-7-17(16(18)14-15)21-13-5-3-2-4-10-20-11-8-19-9-12-20;3-1(4)2(5)6/h6-7,14,19H,2-5,8-13H2,1H3;(H,3,4)(H,5,6)