(2S,4S)-1-(2-fluoranylethyl)-4-[(4-methoxyphenyl)methylsulfanyl]-1-methyl-pyrrolidin-1-ium-2-carboxamide

Systemtic Name: (2S,4S)-1-(2-fluoranylethyl)-4-[(4-methoxyphenyl)methylsulfanyl]-1-methyl-pyrrolidin-1-ium-2-carboxamide Openeye Name: (2S,4S)-1-(2-fluoroethyl)-4-[(4-methoxyphenyl)methylsulfanyl]-1-methyl-pyrrolidin-1-ium-2-carboxamide CAS Name: (2S,4S)-1-(2-fluoroethyl)-4-[(4-methoxyphenyl)methylthio]-1-methyl-2-pyrrolidin-1-iumcarboxamide IUPAC Name: (2S,4S)-1-(2-fluoroethyl)-4-[(4-methoxyphenyl)methylsulfanyl]-1-methylpyrrolidin-1-ium-2-carboxamide Traditional Name: (2S,4S)-1-(2-fluoroethyl)-1-methyl-4-(p-anisylthio)pyrrolidin-1-ium-2-carboxamide Formula: C16H24FN2O2S+ MolecularWeight: 327.437363

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1(CC(CC1C(=O)N)SCC2=CC=C(C=C2)OC)CCF

Isomeric SMILES

C[N+]1(C[C@H](C[C@H]1C(=O)N)SCC2=CC=C(C=C2)OC)CCF

InChI

InChI=1S/C16H23FN2O2S/c1-19(8-7-17)10-14(9-15(19)16(18)20)22-11-12-3-5-13(21-2)6-4-12/h3-6,14-15H,7-11H2,1-2H3,(H-,18,20)/p+1/t14-,15-,19?/m0/s1