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

Systemtic Name: N,1-diethyl-4-[(4-methoxyphenyl)methylsulfanyl]-1-methyl-pyrrolidin-1-ium-2-carboxamide; sulfurofluoridic acid Openeye Name: N,1-diethyl-4-[(4-methoxyphenyl)methylsulfanyl]-1-methyl-pyrrolidin-1-ium-2-carboxamide; sulfurofluoridic acid CAS Name: N,1-diethyl-4-[(4-methoxyphenyl)methylthio]-1-methyl-2-pyrrolidin-1-iumcarboxamide; sulfurofluoridic acid IUPAC Name: N,1-diethyl-4-[(4-methoxyphenyl)methylsulfanyl]-1-methylpyrrolidin-1-ium-2-carboxamide; sulfurofluoridic acid Traditional Name: N,1-diethyl-1-methyl-4-(p-anisylthio)pyrrolidin-1-ium-2-carboxamide; sulfurofluoridic acid Formula: C18H30FN2O5S2+ MolecularWeight: 437.569603

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H28N2O2S.FHO3S/c1-5-19-18(21)17-11-16(12-20(17,3)6-2)23-13-14-7-9-15(22-4)10-8-14;1-5(2,3)4/h7-10,16-17H,5-6,11-13H2,1-4H3;(H,2,3,4)/p+1