[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl-(3-methylsulfanylpropyl)azanium

Systemtic Name: [(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl-(3-methylsulfanylpropyl)azanium Openeye Name: [(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl-(3-methylsulfanylpropyl)ammonium CAS Name: [(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl-[3-(methylthio)propyl]ammonium IUPAC Name: [(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl-(3-methylsulfanylpropyl)azanium Traditional Name: [(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl-[3-(methylthio)propyl]ammonium Formula: C13H20NO2S+ MolecularWeight: 254.3684

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Descriptors Computed from Structure

Canonical SMILES:

CSCCC[NH2+]CC1COC2=CC=CC=C2O1

Isomeric SMILES

CSCCC[NH2+]C[C@H]1COC2=CC=CC=C2O1

InChI

InChI=1S/C13H19NO2S/c1-17-8-4-7-14-9-11-10-15-12-5-2-3-6-13(12)16-11/h2-3,5-6,11,14H,4,7-10H2,1H3/p+1/t11-/m0/s1