1-(1,3-benzothiazol-3-ium-3-yl)propane-2-sulfonamide tetrafluoroborate

Systemtic Name: 1-(1,3-benzothiazol-3-ium-3-yl)propane-2-sulfonamide tetrafluoroborate Openeye Name: 1-(1,3-benzothiazol-3-ium-3-yl)propane-2-sulfonamide tetrafluoroborate CAS Name: 1-(1,3-benzothiazol-3-ium-3-yl)-2-propanesulfonamide tetrafluoroborate IUPAC Name: 1-(1,3-benzothiazol-3-ium-3-yl)propane-2-sulfonamide tetrafluoroborate Traditional Name: 1-(1,3-benzothiazol-3-ium-3-yl)propane-2-sulfonamide tetrafluoroborate Formula: C10H13BF4N2O2S2 MolecularWeight: 344.157033

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

[B-](F)(F)(F)F.CC(C[N+]1=CSC2=CC=CC=C21)S(=O)(=O)N

Isomeric SMILES

[B-](F)(F)(F)F.CC(C[N+]1=CSC2=CC=CC=C21)S(=O)(=O)N

InChI

InChI=1S/C10H13N2O2S2.BF4/c1-8(16(11,13)14)6-12-7-15-10-5-3-2-4-9(10)12;2-1(3,4)5/h2-5,7-8H,6H2,1H3,(H2,11,13,14);/q+1;-1