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

Systemtic Name: 3-(1,3-benzothiazol-3-ium-2-yl)-N-methylsulfonyl-propanamide tetrafluoroborate Openeye Name: 3-(1,3-benzothiazol-3-ium-2-yl)-N-methylsulfonyl-propanamide tetrafluoroborate CAS Name: 3-(1,3-benzothiazol-3-ium-2-yl)-N-methylsulfonylpropanamide tetrafluoroborate IUPAC Name: 3-(1,3-benzothiazol-3-ium-2-yl)-N-methylsulfonylpropanamide tetrafluoroborate Traditional Name: 3-(1,3-benzothiazol-3-ium-2-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.CS(=O)(=O)NC(=O)CCC1=[NH+]C2=CC=CC=C2S1

Isomeric SMILES

[B-](F)(F)(F)F.CS(=O)(=O)NC(=O)CCC1=[NH+]C2=CC=CC=C2S1

InChI

InChI=1S/C11H12N2O3S2.BF4/c1-18(15,16)13-10(14)6-7-11-12-8-4-2-3-5-9(8)17-11;2-1(3,4)5/h2-5H,6-7H2,1H3,(H,13,14);/q;-1/p+1