[(2S)-1-[2-(cyclohexen-1-yl)ethylamino]-4-methylsulfanyl-1-oxidanylidene-butan-2-yl]azanium

Systemtic Name: [(2S)-1-[2-(cyclohexen-1-yl)ethylamino]-4-methylsulfanyl-1-oxidanylidene-butan-2-yl]azanium Openeye Name: [(1S)-1-[2-(cyclohexen-1-yl)ethylcarbamoyl]-3-methylsulfanyl-propyl]ammonium CAS Name: [(2S)-1-[2-(1-cyclohexenyl)ethylamino]-4-(methylthio)-1-oxobutan-2-yl]ammonium IUPAC Name: [(2S)-1-[2-(cyclohexen-1-yl)ethylamino]-4-methylsulfanyl-1-oxobutan-2-yl]azanium Traditional Name: [(1S)-1-[2-(cyclohexen-1-yl)ethylcarbamoyl]-3-(methylthio)propyl]ammonium Formula: C13H25N2OS+ MolecularWeight: 257.4154

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Descriptors Computed from Structure

Canonical SMILES:

CSCCC(C(=O)NCCC1=CCCCC1)[NH3+]

Isomeric SMILES

CSCC[C@@H](C(=O)NCCC1=CCCCC1)[NH3+]

InChI

InChI=1S/C13H24N2OS/c1-17-10-8-12(14)13(16)15-9-7-11-5-3-2-4-6-11/h5,12H,2-4,6-10,14H2,1H3,(H,15,16)/p+1/t12-/m0/s1