[(2S)-3-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-2-oxidanyl-propyl]-methyl-azanium

Systemtic Name: [(2S)-3-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-2-oxidanyl-propyl]-methyl-azanium Openeye Name: [(2S)-3-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-2-hydroxy-propyl]-methyl-ammonium CAS Name: [(2S)-3-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-2-hydroxypropyl]-methylammonium IUPAC Name: [(2S)-3-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-2-hydroxypropyl]-methylazanium Traditional Name: [(2S)-3-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-2-hydroxy-propyl]-methyl-ammonium Formula: C12H18NO5S+ MolecularWeight: 288.34002

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Descriptors Computed from Structure

Canonical SMILES:

C[NH2+]CC(CS(=O)(=O)C1=CC2=C(C=C1)OCCO2)O

Isomeric SMILES

C[NH2+]C[C@@H](CS(=O)(=O)C1=CC2=C(C=C1)OCCO2)O

InChI

InChI=1S/C12H17NO5S/c1-13-7-9(14)8-19(15,16)10-2-3-11-12(6-10)18-5-4-17-11/h2-3,6,9,13-14H,4-5,7-8H2,1H3/p+1/t9-/m0/s1