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

Systemtic Name: ethyl (2R)-2-[(4-methoxyphenyl)sulfanylmethyl]-3-morpholin-4-ium-4-yl-propanoate Openeye Name: ethyl (2R)-2-[(4-methoxyphenyl)sulfanylmethyl]-3-morpholin-4-ium-4-yl-propanoate CAS Name: (2R)-2-[[(4-methoxyphenyl)thio]methyl]-3-(4-morpholin-4-iumyl)propanoic acid ethyl ester IUPAC Name: ethyl (2R)-2-[(4-methoxyphenyl)sulfanylmethyl]-3-morpholin-4-ium-4-ylpropanoate Traditional Name: (2R)-2-[[(4-methoxyphenyl)thio]methyl]-3-morpholin-4-ium-4-yl-propionic acid ethyl ester Formula: C17H26NO4S+ MolecularWeight: 340.45764

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H25NO4S/c1-3-22-17(19)14(12-18-8-10-21-11-9-18)13-23-16-6-4-15(20-2)5-7-16/h4-7,14H,3,8-13H2,1-2H3/p+1/t14-/m0/s1