(Z)-but-2-enedioate; 1-[(2-methylsulfanylphenyl)methyl]piperazine

Systemtic Name: (Z)-but-2-enedioate; 1-[(2-methylsulfanylphenyl)methyl]piperazine Openeye Name: (Z)-but-2-enedioate; 1-[(2-methylsulfanylphenyl)methyl]piperazine CAS Name: (Z)-2-butenedioate; 1-[[2-(methylthio)phenyl]methyl]piperazine IUPAC Name: (Z)-but-2-enedioate; 1-[(2-methylsulfanylphenyl)methyl]piperazine Traditional Name: 1-[2-(methylthio)benzyl]piperazine maleate Formula: C16H20N2O4S-2 MolecularWeight: 336.406

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC=CC=C1CN2CCNCC2.C(=CC(=O)[O-])C(=O)[O-]

Isomeric SMILES

CSC1=CC=CC=C1CN2CCNCC2.C(=C\C(=O)[O-])\C(=O)[O-]

InChI

InChI=1S/C12H18N2S.C4H4O4/c1-15-12-5-3-2-4-11(12)10-14-8-6-13-7-9-14;5-3(6)1-2-4(7)8/h2-5,13H,6-10H2,1H3;1-2H,(H,5,6)(H,7,8)/p-2/b;2-1-