1,3-benzodioxol-5-ylmethyl-[(2S)-2-oxidanyl-3-[4-(trifluoromethylsulfanyl)phenoxy]propyl]azanium

Systemtic Name: 1,3-benzodioxol-5-ylmethyl-[(2S)-2-oxidanyl-3-[4-(trifluoromethylsulfanyl)phenoxy]propyl]azanium Openeye Name: 1,3-benzodioxol-5-ylmethyl-[(2S)-2-hydroxy-3-[4-(trifluoromethylsulfanyl)phenoxy]propyl]ammonium CAS Name: 1,3-benzodioxol-5-ylmethyl-[(2S)-2-hydroxy-3-[4-(trifluoromethylthio)phenoxy]propyl]ammonium IUPAC Name: 1,3-benzodioxol-5-ylmethyl-[(2S)-2-hydroxy-3-[4-(trifluoromethylsulfanyl)phenoxy]propyl]azanium Traditional Name: [(2S)-2-hydroxy-3-[4-(trifluoromethylthio)phenoxy]propyl]-piperonyl-ammonium Formula: C18H19F3NO4S+ MolecularWeight: 402.40797

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)C[NH2+]CC(COC3=CC=C(C=C3)SC(F)(F)F)O

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)C[NH2+]C[C@@H](COC3=CC=C(C=C3)SC(F)(F)F)O

InChI

InChI=1S/C18H18F3NO4S/c19-18(20,21)27-15-4-2-14(3-5-15)24-10-13(23)9-22-8-12-1-6-16-17(7-12)26-11-25-16/h1-7,13,22-23H,8-11H2/p+1/t13-/m0/s1