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

Systemtic Name: ethyl (2R)-2-[(4-chlorophenyl)sulfanylmethyl]-3-morpholin-4-ium-4-yl-propanoate Openeye Name: ethyl (2R)-2-[(4-chlorophenyl)sulfanylmethyl]-3-morpholin-4-ium-4-yl-propanoate CAS Name: (2R)-2-[[(4-chlorophenyl)thio]methyl]-3-(4-morpholin-4-iumyl)propanoic acid ethyl ester IUPAC Name: ethyl (2R)-2-[(4-chlorophenyl)sulfanylmethyl]-3-morpholin-4-ium-4-ylpropanoate Traditional Name: (2R)-2-[[(4-chlorophenyl)thio]methyl]-3-morpholin-4-ium-4-yl-propionic acid ethyl ester Formula: C16H23ClNO3S+ MolecularWeight: 344.87672

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H22ClNO3S/c1-2-21-16(19)13(11-18-7-9-20-10-8-18)12-22-15-5-3-14(17)4-6-15/h3-6,13H,2,7-12H2,1H3/p+1/t13-/m0/s1