(2S)-N-(2,6-dimethylphenyl)-2-morpholin-4-ium-4-yl-2-phenyl-ethanethioamide

Systemtic Name: (2S)-N-(2,6-dimethylphenyl)-2-morpholin-4-ium-4-yl-2-phenyl-ethanethioamide Openeye Name: (2S)-N-(2,6-dimethylphenyl)-2-morpholin-4-ium-4-yl-2-phenyl-thioacetamide CAS Name: (2S)-N-(2,6-dimethylphenyl)-2-(4-morpholin-4-iumyl)-2-phenylethanethioamide IUPAC Name: (2S)-N-(2,6-dimethylphenyl)-2-morpholin-4-ium-4-yl-2-phenylethanethioamide Traditional Name: (2S)-N-(2,6-dimethylphenyl)-2-morpholin-4-ium-4-yl-2-phenyl-thioacetamide Formula: C20H25N2OS+ MolecularWeight: 341.4903

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)C)NC(=S)C(C2=CC=CC=C2)[NH+]3CCOCC3

Isomeric SMILES

CC1=C(C(=CC=C1)C)NC(=S)[C@H](C2=CC=CC=C2)[NH+]3CCOCC3

InChI

InChI=1S/C20H24N2OS/c1-15-7-6-8-16(2)18(15)21-20(24)19(17-9-4-3-5-10-17)22-11-13-23-14-12-22/h3-10,19H,11-14H2,1-2H3,(H,21,24)/p+1/t19-/m0/s1