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

Systemtic Name: (2S,4S)-4-[(4-methoxyphenyl)methylsulfanyl]-1,1-dimethyl-pyrrolidin-1-ium-2-carboxamide Openeye Name: (2S,4S)-4-[(4-methoxyphenyl)methylsulfanyl]-1,1-dimethyl-pyrrolidin-1-ium-2-carboxamide CAS Name: (2S,4S)-4-[(4-methoxyphenyl)methylthio]-1,1-dimethyl-2-pyrrolidin-1-iumcarboxamide IUPAC Name: (2S,4S)-4-[(4-methoxyphenyl)methylsulfanyl]-1,1-dimethylpyrrolidin-1-ium-2-carboxamide Traditional Name: (2S,4S)-1,1-dimethyl-4-(p-anisylthio)pyrrolidin-1-ium-2-carboxamide Formula: C15H23N2O2S+ MolecularWeight: 295.42032

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H22N2O2S/c1-17(2)9-13(8-14(17)15(16)18)20-10-11-4-6-12(19-3)7-5-11/h4-7,13-14H,8-10H2,1-3H3,(H-,16,18)/p+1/t13-,14-/m0/s1