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3-methylsulfanylpropyl-[(2S)-octan-2-yl]azanium

3-methylsulfanylpropyl-[(2S)-octan-2-yl]azanium

Systemtic Name:3-methylsulfanylpropyl-[(2S)-octan-2-yl]azanium
Openeye Name:[(1S)-1-methylheptyl]-(3-methylsulfanylpropyl)ammonium
CAS Name:3-(methylthio)propyl-[(2S)-octan-2-yl]ammonium
IUPAC Name:3-methylsulfanylpropyl-[(2S)-octan-2-yl]azanium
Traditional Name:[(1S)-1-methylheptyl]-[3-(methylthio)propyl]ammonium
Formula: C12H28NS+
MolecularWeight: 218.42242
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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC(C)[NH2+]CCCSC


Isomeric SMILES

CCCCCC[C@H](C)[NH2+]CCCSC


InChI

InChI=1S/C12H27NS/c1-4-5-6-7-9-12(2)13-10-8-11-14-3/h12-13H,4-11H2,1-3H3/p+1/t12-/m0/s1


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