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

Systemtic Name: 3-(1,3-benzothiazol-3-ium-3-yl)-N-methylsulfonyl-propanamide hexafluorophosphate Openeye Name: 3-(1,3-benzothiazol-3-ium-3-yl)-N-methylsulfonyl-propanamide hexafluorophosphate CAS Name: 3-(1,3-benzothiazol-3-ium-3-yl)-N-methylsulfonylpropanamide hexafluorophosphate IUPAC Name: 3-(1,3-benzothiazol-3-ium-3-yl)-N-methylsulfonylpropanamide hexafluorophosphate Traditional Name: 3-(1,3-benzothiazol-3-ium-3-yl)-N-mesyl-propionamide hexafluorophosphate Formula: C11H13F6N2O3PS2 MolecularWeight: 430.3267

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C11H12N2O3S2.F6P/c1-18(15,16)12-11(14)6-7-13-8-17-10-5-3-2-4-9(10)13;1-7(2,3,4,5)6/h2-5,8H,6-7H2,1H3;/q;-1/p+1