(3S,4S)-1-[(4-methylsulfanylphenyl)methyl]-4-morpholin-4-yl-pyrrolidin-1-ium-3-ol

Systemtic Name: (3S,4S)-1-[(4-methylsulfanylphenyl)methyl]-4-morpholin-4-yl-pyrrolidin-1-ium-3-ol Openeye Name: (3S,4S)-1-[(4-methylsulfanylphenyl)methyl]-4-morpholino-pyrrolidin-1-ium-3-ol CAS Name: (3S,4S)-1-[[4-(methylthio)phenyl]methyl]-4-(4-morpholinyl)-3-pyrrolidin-1-iumol IUPAC Name: (3S,4S)-1-[(4-methylsulfanylphenyl)methyl]-4-morpholin-4-ylpyrrolidin-1-ium-3-ol Traditional Name: (3S,4S)-1-[4-(methylthio)benzyl]-4-morpholino-pyrrolidin-1-ium-3-ol Formula: C16H25N2O2S+ MolecularWeight: 309.4469

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC=C(C=C1)C[NH+]2CC(C(C2)O)N3CCOCC3

Isomeric SMILES

CSC1=CC=C(C=C1)C[NH+]2C[C@@H]([C@H](C2)O)N3CCOCC3

InChI

InChI=1S/C16H24N2O2S/c1-21-14-4-2-13(3-5-14)10-17-11-15(16(19)12-17)18-6-8-20-9-7-18/h2-5,15-16,19H,6-12H2,1H3/p+1/t15-,16-/m0/s1