[(1R,2S)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-oxidanyl-butan-2-yl]azanium

Systemtic Name: [(1R,2S)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-oxidanyl-butan-2-yl]azanium Openeye Name: [(1S)-1-[(R)-2,3-dihydro-1,4-benzodioxin-6-yl(hydroxy)methyl]propyl]ammonium CAS Name: [(1R,2S)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-hydroxybutan-2-yl]ammonium IUPAC Name: [(1R,2S)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-hydroxybutan-2-yl]azanium Traditional Name: [(1S)-1-[(R)-2,3-dihydro-1,4-benzodioxin-6-yl(hydroxy)methyl]propyl]ammonium Formula: C12H18NO3+ MolecularWeight: 224.27622

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(C1=CC2=C(C=C1)OCCO2)O)[NH3+]

Isomeric SMILES

CC[C@@H]([C@@H](C1=CC2=C(C=C1)OCCO2)O)[NH3+]

InChI

InChI=1S/C12H17NO3/c1-2-9(13)12(14)8-3-4-10-11(7-8)16-6-5-15-10/h3-4,7,9,12,14H,2,5-6,13H2,1H3/p+1/t9-,12+/m0/s1