2-(1,3-benzothiazol-3-ium-3-yl)-N-methyl-ethanesulfonamide tetrafluoroborate

Systemtic Name: 2-(1,3-benzothiazol-3-ium-3-yl)-N-methyl-ethanesulfonamide tetrafluoroborate Openeye Name: 2-(1,3-benzothiazol-3-ium-3-yl)-N-methyl-ethanesulfonamide tetrafluoroborate CAS Name: 2-(1,3-benzothiazol-3-ium-3-yl)-N-methylethanesulfonamide tetrafluoroborate IUPAC Name: 2-(1,3-benzothiazol-3-ium-3-yl)-N-methylethanesulfonamide tetrafluoroborate Traditional Name: 2-(1,3-benzothiazol-3-ium-3-yl)-N-methyl-ethanesulfonamide tetrafluoroborate Formula: C10H13BF4N2O2S2 MolecularWeight: 344.157033

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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