N-[1-(1,3-benzothiazol-3-ium-3-yl)-3-oxidanylidene-propyl]methanesulfonamide tetrafluoroborate

Systemtic Name: N-[1-(1,3-benzothiazol-3-ium-3-yl)-3-oxidanylidene-propyl]methanesulfonamide tetrafluoroborate Openeye Name: N-[1-(1,3-benzothiazol-3-ium-3-yl)-3-oxo-propyl]methanesulfonamide tetrafluoroborate CAS Name: N-[1-(1,3-benzothiazol-3-ium-3-yl)-3-oxopropyl]methanesulfonamide tetrafluoroborate IUPAC Name: N-[1-(1,3-benzothiazol-3-ium-3-yl)-3-oxopropyl]methanesulfonamide tetrafluoroborate Traditional Name: N-[1-(1,3-benzothiazol-3-ium-3-yl)-3-keto-propyl]methanesulfonamide 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(CC=O)[N+]1=CSC2=CC=CC=C21

Isomeric SMILES

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

InChI

InChI=1S/C11H13N2O3S2.BF4/c1-18(15,16)12-11(6-7-14)13-8-17-10-5-3-2-4-9(10)13;2-1(3,4)5/h2-5,7-8,11-12H,6H2,1H3;/q+1;-1