ethyl (2R)-2-[(4-methylphenyl)sulfanylmethyl]-3-morpholin-4-ium-4-yl-propanoate

Systemtic Name: ethyl (2R)-2-[(4-methylphenyl)sulfanylmethyl]-3-morpholin-4-ium-4-yl-propanoate Openeye Name: ethyl (2R)-2-(morpholin-4-ium-4-ylmethyl)-3-(p-tolylsulfanyl)propanoate CAS Name: (2R)-2-[[(4-methylphenyl)thio]methyl]-3-(4-morpholin-4-iumyl)propanoic acid ethyl ester IUPAC Name: ethyl (2R)-2-[(4-methylphenyl)sulfanylmethyl]-3-morpholin-4-ium-4-ylpropanoate Traditional Name: (2R)-2-(morpholin-4-ium-4-ylmethyl)-3-(p-tolylthio)propionic acid ethyl ester Formula: C17H26NO3S+ MolecularWeight: 324.45824

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(C[NH+]1CCOCC1)CSC2=CC=C(C=C2)C

Isomeric SMILES

CCOC(=O)[C@@H](C[NH+]1CCOCC1)CSC2=CC=C(C=C2)C

InChI

InChI=1S/C17H25NO3S/c1-3-21-17(19)15(12-18-8-10-20-11-9-18)13-22-16-6-4-14(2)5-7-16/h4-7,15H,3,8-13H2,1-2H3/p+1/t15-/m0/s1