[(2S)-4-methylsulfanyl-1-(4-pyrimidin-2-ylpiperazin-1-yl)butan-2-yl]azanium

Systemtic Name: [(2S)-4-methylsulfanyl-1-(4-pyrimidin-2-ylpiperazin-1-yl)butan-2-yl]azanium Openeye Name: [(1S)-3-methylsulfanyl-1-[(4-pyrimidin-2-ylpiperazin-1-yl)methyl]propyl]ammonium CAS Name: [(2S)-4-(methylthio)-1-[4-(2-pyrimidinyl)-1-piperazinyl]butan-2-yl]ammonium IUPAC Name: [(2S)-4-methylsulfanyl-1-(4-pyrimidin-2-ylpiperazin-1-yl)butan-2-yl]azanium Traditional Name: [(1S)-3-(methylthio)-1-[[4-(2-pyrimidyl)piperazino]methyl]propyl]ammonium Formula: C13H24N5S+ MolecularWeight: 282.42816

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Descriptors Computed from Structure

Canonical SMILES:

CSCCC(CN1CCN(CC1)C2=NC=CC=N2)[NH3+]

Isomeric SMILES

CSCC[C@@H](CN1CCN(CC1)C2=NC=CC=N2)[NH3+]

InChI

InChI=1S/C13H23N5S/c1-19-10-3-12(14)11-17-6-8-18(9-7-17)13-15-4-2-5-16-13/h2,4-5,12H,3,6-11,14H2,1H3/p+1/t12-/m0/s1