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

Systemtic Name: 1-[4-(4-chloranyl-3-ethyl-phenoxy)butyl]piperazine; ethanedioic acid Openeye Name: 1-[4-(4-chloro-3-ethyl-phenoxy)butyl]piperazine; oxalic acid CAS Name: 1-[4-(4-chloro-3-ethylphenoxy)butyl]piperazine; oxalic acid IUPAC Name: 1-[4-(4-chloro-3-ethylphenoxy)butyl]piperazine; oxalic acid Traditional Name: 1-[4-(4-chloro-3-ethyl-phenoxy)butyl]piperazine; oxalic acid Formula: C18H27ClN2O5 MolecularWeight: 386.87038

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C=CC(=C1)OCCCCN2CCNCC2)Cl.C(=O)(C(=O)O)O

Isomeric SMILES

CCC1=C(C=CC(=C1)OCCCCN2CCNCC2)Cl.C(=O)(C(=O)O)O

InChI

InChI=1S/C16H25ClN2O.C2H2O4/c1-2-14-13-15(5-6-16(14)17)20-12-4-3-9-19-10-7-18-8-11-19;3-1(4)2(5)6/h5-6,13,18H,2-4,7-12H2,1H3;(H,3,4)(H,5,6)