methanesulfonic acid; 1-[(4-methylsulfanylphenyl)methyl]piperazine

Systemtic Name: methanesulfonic acid; 1-[(4-methylsulfanylphenyl)methyl]piperazine Openeye Name: methanesulfonic acid; 1-[(4-methylsulfanylphenyl)methyl]piperazine CAS Name: methanesulfonic acid; 1-[[4-(methylthio)phenyl]methyl]piperazine IUPAC Name: methanesulfonic acid; 1-[(4-methylsulfanylphenyl)methyl]piperazine Traditional Name: mesylic acid; 1-[4-(methylthio)benzyl]piperazine Formula: C13H22N2O3S2 MolecularWeight: 318.45538

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC=C(C=C1)CN2CCNCC2.CS(=O)(=O)O

Isomeric SMILES

CSC1=CC=C(C=C1)CN2CCNCC2.CS(=O)(=O)O

InChI

InChI=1S/C12H18N2S.CH4O3S/c1-15-12-4-2-11(3-5-12)10-14-8-6-13-7-9-14;1-5(2,3)4/h2-5,13H,6-10H2,1H3;1H3,(H,2,3,4)