[(3S)-4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfanyl)-3-oxidanyl-butyl]azanium

Systemtic Name: [(3S)-4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfanyl)-3-oxidanyl-butyl]azanium Openeye Name: [(3S)-4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfanyl)-3-hydroxy-butyl]ammonium CAS Name: [(3S)-4-(2,3-dihydro-1,4-benzodioxin-6-ylthio)-3-hydroxybutyl]ammonium IUPAC Name: [(3S)-4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfanyl)-3-hydroxybutyl]azanium Traditional Name: [(3S)-4-(2,3-dihydro-1,4-benzodioxin-6-ylthio)-3-hydroxy-butyl]ammonium Formula: C12H18NO3S+ MolecularWeight: 256.34122

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(O1)C=CC(=C2)SCC(CC[NH3+])O

Isomeric SMILES

C1COC2=C(O1)C=CC(=C2)SC[C@H](CC[NH3+])O

InChI

InChI=1S/C12H17NO3S/c13-4-3-9(14)8-17-10-1-2-11-12(7-10)16-6-5-15-11/h1-2,7,9,14H,3-6,8,13H2/p+1/t9-/m0/s1