4-(1,3-benzodioxol-5-ylmethyl)thiomorpholin-4-ium

Systemtic Name: 4-(1,3-benzodioxol-5-ylmethyl)thiomorpholin-4-ium Openeye Name: 4-(1,3-benzodioxol-5-ylmethyl)thiomorpholin-4-ium CAS Name: 4-(1,3-benzodioxol-5-ylmethyl)thiomorpholin-4-ium IUPAC Name: 4-(1,3-benzodioxol-5-ylmethyl)thiomorpholin-4-ium Traditional Name: 4-piperonylthiomorpholin-4-ium Formula: C12H16NO2S+ MolecularWeight: 238.32594

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CSCC[NH+]1CC2=CC3=C(C=C2)OCO3

Isomeric SMILES

C1CSCC[NH+]1CC2=CC3=C(C=C2)OCO3

InChI

InChI=1S/C12H15NO2S/c1-2-11-12(15-9-14-11)7-10(1)8-13-3-5-16-6-4-13/h1-2,7H,3-6,8-9H2/p+1