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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC[N+]1(CC(CC1(C)C)SCC2=CC=C(C=C2)OC)C(=O)N

Isomeric SMILES

CC[N+]1(CC(CC1(C)C)SCC2=CC=C(C=C2)OC)C(=O)N

InChI

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