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

Systemtic Name: [(2S,4S)-4-[(4-methoxyphenyl)methylsulfanyl]-1,1-dimethyl-pyrrolidin-1-ium-2-yl]-pyrrolidin-1-yl-methanone Openeye Name: [(2S,4S)-4-[(4-methoxyphenyl)methylsulfanyl]-1,1-dimethyl-pyrrolidin-1-ium-2-yl]-pyrrolidin-1-yl-methanone CAS Name: [(2S,4S)-4-[(4-methoxyphenyl)methylthio]-1,1-dimethyl-2-pyrrolidin-1-iumyl]-(1-pyrrolidinyl)methanone IUPAC Name: [(2S,4S)-4-[(4-methoxyphenyl)methylsulfanyl]-1,1-dimethylpyrrolidin-1-ium-2-yl]-pyrrolidin-1-ylmethanone Traditional Name: [(2S,4S)-1,1-dimethyl-4-(p-anisylthio)pyrrolidin-1-ium-2-yl]-pyrrolidino-methanone Formula: C19H29N2O2S+ MolecularWeight: 349.51076

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1(CC(CC1C(=O)N2CCCC2)SCC3=CC=C(C=C3)OC)C

Isomeric SMILES

C[N+]1(C[C@H](C[C@H]1C(=O)N2CCCC2)SCC3=CC=C(C=C3)OC)C

InChI

InChI=1S/C19H29N2O2S/c1-21(2)13-17(12-18(21)19(22)20-10-4-5-11-20)24-14-15-6-8-16(23-3)9-7-15/h6-9,17-18H,4-5,10-14H2,1-3H3/q+1/t17-,18-/m0/s1