3-[4-[(4-methylsulfanylphenyl)methyl]piperazin-1-yl]propanoic acid

Systemtic Name: 3-[4-[(4-methylsulfanylphenyl)methyl]piperazin-1-yl]propanoic acid Openeye Name: 3-[4-[(4-methylsulfanylphenyl)methyl]piperazin-1-yl]propanoic acid CAS Name: 3-[4-[[4-(methylthio)phenyl]methyl]-1-piperazinyl]propanoic acid IUPAC Name: 3-[4-[(4-methylsulfanylphenyl)methyl]piperazin-1-yl]propanoic acid Traditional Name: 3-[4-[4-(methylthio)benzyl]piperazino]propionic acid Formula: C15H22N2O2S MolecularWeight: 294.41238

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC=C(C=C1)CN2CCN(CC2)CCC(=O)O

Isomeric SMILES

CSC1=CC=C(C=C1)CN2CCN(CC2)CCC(=O)O

InChI

InChI=1S/C15H22N2O2S/c1-20-14-4-2-13(3-5-14)12-17-10-8-16(9-11-17)7-6-15(18)19/h2-5H,6-12H2,1H3,(H,18,19)