3-[(3R)-1-[(4-methylsulfanylphenyl)methyl]piperidin-1-ium-3-yl]-1-morpholin-4-yl-propan-1-one

Systemtic Name: 3-[(3R)-1-[(4-methylsulfanylphenyl)methyl]piperidin-1-ium-3-yl]-1-morpholin-4-yl-propan-1-one Openeye Name: 3-[(3R)-1-[(4-methylsulfanylphenyl)methyl]piperidin-1-ium-3-yl]-1-morpholino-propan-1-one CAS Name: 3-[(3R)-1-[[4-(methylthio)phenyl]methyl]-3-piperidin-1-iumyl]-1-(4-morpholinyl)-1-propanone IUPAC Name: 3-[(3R)-1-[(4-methylsulfanylphenyl)methyl]piperidin-1-ium-3-yl]-1-morpholin-4-ylpropan-1-one Traditional Name: 3-[(3R)-1-[4-(methylthio)benzyl]piperidin-1-ium-3-yl]-1-morpholino-propan-1-one Formula: C20H31N2O2S+ MolecularWeight: 363.53734

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H30N2O2S/c1-25-19-7-4-18(5-8-19)16-21-10-2-3-17(15-21)6-9-20(23)22-11-13-24-14-12-22/h4-5,7-8,17H,2-3,6,9-16H2,1H3/p+1/t17-/m1/s1