1-[4-(3-bromanylphenoxy)butyl]-4-ethyl-piperazine; ethanedioic acid

Systemtic Name: 1-[4-(3-bromanylphenoxy)butyl]-4-ethyl-piperazine; ethanedioic acid Openeye Name: 1-[4-(3-bromophenoxy)butyl]-4-ethyl-piperazine; oxalic acid CAS Name: 1-[4-(3-bromophenoxy)butyl]-4-ethylpiperazine; oxalic acid IUPAC Name: 1-[4-(3-bromophenoxy)butyl]-4-ethylpiperazine; oxalic acid Traditional Name: 1-[4-(3-bromophenoxy)butyl]-4-ethyl-piperazine; oxalic acid Formula: C18H27BrN2O5 MolecularWeight: 431.32138

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Descriptors Computed from Structure

Canonical SMILES:

CCN1CCN(CC1)CCCCOC2=CC(=CC=C2)Br.C(=O)(C(=O)O)O

Isomeric SMILES

CCN1CCN(CC1)CCCCOC2=CC(=CC=C2)Br.C(=O)(C(=O)O)O

InChI

InChI=1S/C16H25BrN2O.C2H2O4/c1-2-18-9-11-19(12-10-18)8-3-4-13-20-16-7-5-6-15(17)14-16;3-1(4)2(5)6/h5-7,14H,2-4,8-13H2,1H3;(H,3,4)(H,5,6)