[(2S,3S)-2-(1,3-benzodioxol-5-yloxy)pentan-3-yl]azanium

Systemtic Name: [(2S,3S)-2-(1,3-benzodioxol-5-yloxy)pentan-3-yl]azanium Openeye Name: [(1S,2S)-2-(1,3-benzodioxol-5-yloxy)-1-ethyl-propyl]ammonium CAS Name: [(2S,3S)-2-(1,3-benzodioxol-5-yloxy)pentan-3-yl]ammonium IUPAC Name: [(2S,3S)-2-(1,3-benzodioxol-5-yloxy)pentan-3-yl]azanium Traditional Name: [(1S,2S)-2-(1,3-benzodioxol-5-yloxy)-1-ethyl-propyl]ammonium Formula: C12H18NO3+ MolecularWeight: 224.27622

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(C)OC1=CC2=C(C=C1)OCO2)[NH3+]

Isomeric SMILES

CC[C@@H]([C@H](C)OC1=CC2=C(C=C1)OCO2)[NH3+]

InChI

InChI=1S/C12H17NO3/c1-3-10(13)8(2)16-9-4-5-11-12(6-9)15-7-14-11/h4-6,8,10H,3,7,13H2,1-2H3/p+1/t8-,10-/m0/s1