(2S)-2-(3-methoxyphenyl)-2-morpholin-4-ium-4-yl-ethanethioamide

Systemtic Name: (2S)-2-(3-methoxyphenyl)-2-morpholin-4-ium-4-yl-ethanethioamide Openeye Name: (2S)-2-(3-methoxyphenyl)-2-morpholin-4-ium-4-yl-thioacetamide CAS Name: (2S)-2-(3-methoxyphenyl)-2-(4-morpholin-4-iumyl)ethanethioamide IUPAC Name: (2S)-2-(3-methoxyphenyl)-2-morpholin-4-ium-4-ylethanethioamide Traditional Name: (2S)-2-(3-methoxyphenyl)-2-morpholin-4-ium-4-yl-thioacetamide Formula: C13H19N2O2S+ MolecularWeight: 267.36716

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)C(C(=S)N)[NH+]2CCOCC2

Isomeric SMILES

COC1=CC=CC(=C1)[C@@H](C(=S)N)[NH+]2CCOCC2

InChI

InChI=1S/C13H18N2O2S/c1-16-11-4-2-3-10(9-11)12(13(14)18)15-5-7-17-8-6-15/h2-4,9,12H,5-8H2,1H3,(H2,14,18)/p+1/t12-/m0/s1