N-ethyl-4-[(4-methoxyphenyl)methylsulfanyl]-1,1-dimethyl-pyrrolidin-1-ium-2-carboxamide; sulfurofluoridic acid

Systemtic Name: N-ethyl-4-[(4-methoxyphenyl)methylsulfanyl]-1,1-dimethyl-pyrrolidin-1-ium-2-carboxamide; sulfurofluoridic acid Openeye Name: N-ethyl-4-[(4-methoxyphenyl)methylsulfanyl]-1,1-dimethyl-pyrrolidin-1-ium-2-carboxamide; sulfurofluoridic acid CAS Name: N-ethyl-4-[(4-methoxyphenyl)methylthio]-1,1-dimethyl-2-pyrrolidin-1-iumcarboxamide; sulfurofluoridic acid IUPAC Name: N-ethyl-4-[(4-methoxyphenyl)methylsulfanyl]-1,1-dimethylpyrrolidin-1-ium-2-carboxamide; sulfurofluoridic acid Traditional Name: N-ethyl-1,1-dimethyl-4-(p-anisylthio)pyrrolidin-1-ium-2-carboxamide; sulfurofluoridic acid Formula: C17H28FN2O5S2+ MolecularWeight: 423.543023

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Descriptors Computed from Structure

Canonical SMILES:

CCNC(=O)C1CC(C[N+]1(C)C)SCC2=CC=C(C=C2)OC.OS(=O)(=O)F

Isomeric SMILES

CCNC(=O)C1CC(C[N+]1(C)C)SCC2=CC=C(C=C2)OC.OS(=O)(=O)F

InChI

InChI=1S/C17H26N2O2S.FHO3S/c1-5-18-17(20)16-10-15(11-19(16,2)3)22-12-13-6-8-14(21-4)9-7-13;1-5(2,3)4/h6-9,15-16H,5,10-12H2,1-4H3;(H,2,3,4)/p+1