1,3-benzodioxol-5-ylmethyl-[(2S)-2-oxidanyl-3-thiophen-2-ylsulfanyl-propyl]azanium

Systemtic Name: 1,3-benzodioxol-5-ylmethyl-[(2S)-2-oxidanyl-3-thiophen-2-ylsulfanyl-propyl]azanium Openeye Name: 1,3-benzodioxol-5-ylmethyl-[(2S)-2-hydroxy-3-(2-thienylsulfanyl)propyl]ammonium CAS Name: 1,3-benzodioxol-5-ylmethyl-[(2S)-2-hydroxy-3-(thiophen-2-ylthio)propyl]ammonium IUPAC Name: 1,3-benzodioxol-5-ylmethyl-[(2S)-2-hydroxy-3-thiophen-2-ylsulfanylpropyl]azanium Traditional Name: [(2S)-2-hydroxy-3-(2-thienylthio)propyl]-piperonyl-ammonium Formula: C15H18NO3S2+ MolecularWeight: 324.43832

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)C[NH2+]CC(CSC3=CC=CS3)O

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)C[NH2+]C[C@@H](CSC3=CC=CS3)O

InChI

InChI=1S/C15H17NO3S2/c17-12(9-21-15-2-1-5-20-15)8-16-7-11-3-4-13-14(6-11)19-10-18-13/h1-6,12,16-17H,7-10H2/p+1/t12-/m0/s1