tert-butyl 2-(thiolan-1-ium-1-ylmethyl)pyrrole-1-carboxylate hexafluorophosphate

Systemtic Name: tert-butyl 2-(thiolan-1-ium-1-ylmethyl)pyrrole-1-carboxylate hexafluorophosphate Openeye Name: tert-butyl 2-(tetrahydrothiophen-1-ium-1-ylmethyl)pyrrole-1-carboxylate hexafluorophosphate CAS Name: 2-(1-thiolan-1-iumylmethyl)-1-pyrrolecarboxylic acid tert-butyl ester hexafluorophosphate IUPAC Name: tert-butyl 2-(thiolan-1-ium-1-ylmethyl)pyrrole-1-carboxylate hexafluorophosphate Traditional Name: 2-(tetrahydrothiophen-1-ium-1-ylmethyl)pyrrole-1-carboxylic acid tert-butyl ester hexafluorophosphate Formula: C14H22F6NO2PS MolecularWeight: 413.35916

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1C=CC=C1C[S+]2CCCC2.F[P-](F)(F)(F)(F)F

Isomeric SMILES

CC(C)(C)OC(=O)N1C=CC=C1C[S+]2CCCC2.F[P-](F)(F)(F)(F)F

InChI

InChI=1S/C14H22NO2S.F6P/c1-14(2,3)17-13(16)15-8-6-7-12(15)11-18-9-4-5-10-18;1-7(2,3,4,5)6/h6-8H,4-5,9-11H2,1-3H3;/q+1;-1