(3R,4R)-1-[(3-methylsulfanylphenyl)methyl]-4-morpholin-4-yl-piperidin-1-ium-3-ol

Systemtic Name: (3R,4R)-1-[(3-methylsulfanylphenyl)methyl]-4-morpholin-4-yl-piperidin-1-ium-3-ol Openeye Name: (3R,4R)-1-[(3-methylsulfanylphenyl)methyl]-4-morpholino-piperidin-1-ium-3-ol CAS Name: (3R,4R)-1-[[3-(methylthio)phenyl]methyl]-4-(4-morpholinyl)-3-piperidin-1-iumol IUPAC Name: (3R,4R)-1-[(3-methylsulfanylphenyl)methyl]-4-morpholin-4-ylpiperidin-1-ium-3-ol Traditional Name: (3R,4R)-1-[3-(methylthio)benzyl]-4-morpholino-piperidin-1-ium-3-ol Formula: C17H27N2O2S+ MolecularWeight: 323.47348

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H26N2O2S/c1-22-15-4-2-3-14(11-15)12-18-6-5-16(17(20)13-18)19-7-9-21-10-8-19/h2-4,11,16-17,20H,5-10,12-13H2,1H3/p+1/t16-,17-/m1/s1