ethanedioic acid; 1-(4-phenylsulfanylbutyl)piperazine

Systemtic Name: ethanedioic acid; 1-(4-phenylsulfanylbutyl)piperazine Openeye Name: oxalic acid; 1-(4-phenylsulfanylbutyl)piperazine CAS Name: oxalic acid; 1-[4-(phenylthio)butyl]piperazine IUPAC Name: oxalic acid; 1-(4-phenylsulfanylbutyl)piperazine Traditional Name: oxalic acid; 1-[4-(phenylthio)butyl]piperazine Formula: C16H24N2O4S MolecularWeight: 340.43776

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1)CCCCSC2=CC=CC=C2.C(=O)(C(=O)O)O

Isomeric SMILES

C1CN(CCN1)CCCCSC2=CC=CC=C2.C(=O)(C(=O)O)O

InChI

InChI=1S/C14H22N2S.C2H2O4/c1-2-6-14(7-3-1)17-13-5-4-10-16-11-8-15-9-12-16;3-1(4)2(5)6/h1-3,6-7,15H,4-5,8-13H2;(H,3,4)(H,5,6)