ethanedioic acid; 1-(3-phenylsulfanylpropyl)piperazine

Systemtic Name: ethanedioic acid; 1-(3-phenylsulfanylpropyl)piperazine Openeye Name: oxalic acid; 1-(3-phenylsulfanylpropyl)piperazine CAS Name: oxalic acid; 1-[3-(phenylthio)propyl]piperazine IUPAC Name: oxalic acid; 1-(3-phenylsulfanylpropyl)piperazine Traditional Name: oxalic acid; 1-[3-(phenylthio)propyl]piperazine Formula: C15H22N2O4S MolecularWeight: 326.41118

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1)CCCSC2=CC=CC=C2.C(=O)(C(=O)O)O

Isomeric SMILES

C1CN(CCN1)CCCSC2=CC=CC=C2.C(=O)(C(=O)O)O

InChI

InChI=1S/C13H20N2S.C2H2O4/c1-2-5-13(6-3-1)16-12-4-9-15-10-7-14-8-11-15;3-1(4)2(5)6/h1-3,5-6,14H,4,7-12H2;(H,3,4)(H,5,6)