1,3-benzodioxol-5-ylmethyl-[(2R)-2-oxidanyl-3-phenylsulfanyl-propyl]azanium

Systemtic Name: 1,3-benzodioxol-5-ylmethyl-[(2R)-2-oxidanyl-3-phenylsulfanyl-propyl]azanium Openeye Name: 1,3-benzodioxol-5-ylmethyl-[(2R)-2-hydroxy-3-phenylsulfanyl-propyl]ammonium CAS Name: 1,3-benzodioxol-5-ylmethyl-[(2R)-2-hydroxy-3-(phenylthio)propyl]ammonium IUPAC Name: 1,3-benzodioxol-5-ylmethyl-[(2R)-2-hydroxy-3-phenylsulfanylpropyl]azanium Traditional Name: [(2R)-2-hydroxy-3-(phenylthio)propyl]-piperonyl-ammonium Formula: C17H20NO3S+ MolecularWeight: 318.4106

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)C[NH2+]CC(CSC3=CC=CC=C3)O

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)C[NH2+]C[C@H](CSC3=CC=CC=C3)O

InChI

InChI=1S/C17H19NO3S/c19-14(11-22-15-4-2-1-3-5-15)10-18-9-13-6-7-16-17(8-13)21-12-20-16/h1-8,14,18-19H,9-12H2/p+1/t14-/m1/s1