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

Systemtic Name: 1-[3-(2-tert-butyl-4-chloranyl-phenoxy)propyl]-4-methyl-piperazine; ethanedioic acid Openeye Name: 1-[3-(2-tert-butyl-4-chloro-phenoxy)propyl]-4-methyl-piperazine; oxalic acid CAS Name: 1-[3-(2-tert-butyl-4-chlorophenoxy)propyl]-4-methylpiperazine; oxalic acid IUPAC Name: 1-[3-(2-tert-butyl-4-chlorophenoxy)propyl]-4-methylpiperazine; oxalic acid Traditional Name: 1-[3-(2-tert-butyl-4-chloro-phenoxy)propyl]-4-methyl-piperazine; oxalic acid Formula: C20H31ClN2O5 MolecularWeight: 414.92354

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H29ClN2O.C2H2O4/c1-18(2,3)16-14-15(19)6-7-17(16)22-13-5-8-21-11-9-20(4)10-12-21;3-1(4)2(5)6/h6-7,14H,5,8-13H2,1-4H3;(H,3,4)(H,5,6)