1-[3-(2-bromanyl-6-chloranyl-4-methyl-phenoxy)propyl]-4-methyl-piperazine; ethanedioic acid

Systemtic Name: 1-[3-(2-bromanyl-6-chloranyl-4-methyl-phenoxy)propyl]-4-methyl-piperazine; ethanedioic acid Openeye Name: 1-[3-(2-bromo-6-chloro-4-methyl-phenoxy)propyl]-4-methyl-piperazine; oxalic acid CAS Name: 1-[3-(2-bromo-6-chloro-4-methylphenoxy)propyl]-4-methylpiperazine; oxalic acid IUPAC Name: 1-[3-(2-bromo-6-chloro-4-methylphenoxy)propyl]-4-methylpiperazine; oxalic acid Traditional Name: 1-[3-(2-bromo-6-chloro-4-methyl-phenoxy)propyl]-4-methyl-piperazine; oxalic acid Formula: C17H24BrClN2O5 MolecularWeight: 451.73986

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1)Br)OCCCN2CCN(CC2)C)Cl.C(=O)(C(=O)O)O

Isomeric SMILES

CC1=CC(=C(C(=C1)Br)OCCCN2CCN(CC2)C)Cl.C(=O)(C(=O)O)O

InChI

InChI=1S/C15H22BrClN2O.C2H2O4/c1-12-10-13(16)15(14(17)11-12)20-9-3-4-19-7-5-18(2)6-8-19;3-1(4)2(5)6/h10-11H,3-9H2,1-2H3;(H,3,4)(H,5,6)