2-(1,3-benzothiazol-3-ium-3-yl)-N-methylsulfonyl-propanamide tetrafluoroborate

Systemtic Name: 2-(1,3-benzothiazol-3-ium-3-yl)-N-methylsulfonyl-propanamide tetrafluoroborate Openeye Name: 2-(1,3-benzothiazol-3-ium-3-yl)-N-methylsulfonyl-propanamide tetrafluoroborate CAS Name: 2-(1,3-benzothiazol-3-ium-3-yl)-N-methylsulfonylpropanamide tetrafluoroborate IUPAC Name: 2-(1,3-benzothiazol-3-ium-3-yl)-N-methylsulfonylpropanamide tetrafluoroborate Traditional Name: 2-(1,3-benzothiazol-3-ium-3-yl)-N-mesyl-propionamide tetrafluoroborate Formula: C11H13BF4N2O3S2 MolecularWeight: 372.167133

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C11H12N2O3S2.BF4/c1-8(11(14)12-18(2,15)16)13-7-17-10-6-4-3-5-9(10)13;2-1(3,4)5/h3-8H,1-2H3;/q;-1/p+1