(1,1-dimethylpiperidin-1-ium-4-yl) 3-(2-phenylthiomorpholin-4-yl)propanoate

Systemtic Name: (1,1-dimethylpiperidin-1-ium-4-yl) 3-(2-phenylthiomorpholin-4-yl)propanoate Openeye Name: (1,1-dimethylpiperidin-1-ium-4-yl) 3-(2-phenylthiomorpholin-4-yl)propanoate CAS Name: 3-(2-phenyl-4-thiomorpholinyl)propanoic acid (1,1-dimethyl-4-piperidin-1-iumyl) ester IUPAC Name: (1,1-dimethylpiperidin-1-ium-4-yl) 3-(2-phenylthiomorpholin-4-yl)propanoate Traditional Name: 3-(2-phenylthiomorpholin-4-yl)propionic acid (1,1-dimethylpiperidin-1-ium-4-yl) ester Formula: C20H31N2O2S+ MolecularWeight: 363.53734

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C[N+]1(CCC(CC1)OC(=O)CCN2CCSC(C2)C3=CC=CC=C3)C

Isomeric SMILES

C[N+]1(CCC(CC1)OC(=O)CCN2CCSC(C2)C3=CC=CC=C3)C

InChI

InChI=1S/C20H31N2O2S/c1-22(2)13-9-18(10-14-22)24-20(23)8-11-21-12-15-25-19(16-21)17-6-4-3-5-7-17/h3-7,18-19H,8-16H2,1-2H3/q+1