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

Systemtic Name: N-ethyl-4-[(4-methoxyphenyl)methylsulfanyl]-1,1-dimethyl-pyrrolidin-1-ium-2-carboxamide Openeye Name: N-ethyl-4-[(4-methoxyphenyl)methylsulfanyl]-1,1-dimethyl-pyrrolidin-1-ium-2-carboxamide CAS Name: N-ethyl-4-[(4-methoxyphenyl)methylthio]-1,1-dimethyl-2-pyrrolidin-1-iumcarboxamide IUPAC Name: N-ethyl-4-[(4-methoxyphenyl)methylsulfanyl]-1,1-dimethylpyrrolidin-1-ium-2-carboxamide Traditional Name: N-ethyl-1,1-dimethyl-4-(p-anisylthio)pyrrolidin-1-ium-2-carboxamide Formula: C17H27N2O2S+ MolecularWeight: 323.47348

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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