[(2S)-1-(1,3-benzodioxol-5-ylmethylamino)-4-methylsulfanyl-1-oxidanylidene-butan-2-yl]azanium

Systemtic Name: [(2S)-1-(1,3-benzodioxol-5-ylmethylamino)-4-methylsulfanyl-1-oxidanylidene-butan-2-yl]azanium Openeye Name: [(1S)-1-(1,3-benzodioxol-5-ylmethylcarbamoyl)-3-methylsulfanyl-propyl]ammonium CAS Name: [(2S)-1-(1,3-benzodioxol-5-ylmethylamino)-4-(methylthio)-1-oxobutan-2-yl]ammonium IUPAC Name: [(2S)-1-(1,3-benzodioxol-5-ylmethylamino)-4-methylsulfanyl-1-oxobutan-2-yl]azanium Traditional Name: [(1S)-3-(methylthio)-1-(piperonylcarbamoyl)propyl]ammonium Formula: C13H19N2O3S+ MolecularWeight: 283.36656

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CSCCC(C(=O)NCC1=CC2=C(C=C1)OCO2)[NH3+]

Isomeric SMILES

CSCC[C@@H](C(=O)NCC1=CC2=C(C=C1)OCO2)[NH3+]

InChI

InChI=1S/C13H18N2O3S/c1-19-5-4-10(14)13(16)15-7-9-2-3-11-12(6-9)18-8-17-11/h2-3,6,10H,4-5,7-8,14H2,1H3,(H,15,16)/p+1/t10-/m0/s1