N'-(2-methylsulfanylphenyl)-N-[2-[(2R)-2-phenylmorpholin-4-ium-4-yl]ethyl]ethanediamide

Systemtic Name: N'-(2-methylsulfanylphenyl)-N-[2-[(2R)-2-phenylmorpholin-4-ium-4-yl]ethyl]ethanediamide Openeye Name: N'-(2-methylsulfanylphenyl)-N-[2-[(2R)-2-phenylmorpholin-4-ium-4-yl]ethyl]oxamide CAS Name: N'-[2-(methylthio)phenyl]-N-[2-[(2R)-2-phenyl-4-morpholin-4-iumyl]ethyl]oxamide IUPAC Name: N'-(2-methylsulfanylphenyl)-N-[2-[(2R)-2-phenylmorpholin-4-ium-4-yl]ethyl]oxamide Traditional Name: N'-[2-(methylthio)phenyl]-N-[2-[(2R)-2-phenylmorpholin-4-ium-4-yl]ethyl]oxamide Formula: C21H26N3O3S+ MolecularWeight: 400.51444

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC=CC=C1NC(=O)C(=O)NCC[NH+]2CCOC(C2)C3=CC=CC=C3

Isomeric SMILES

CSC1=CC=CC=C1NC(=O)C(=O)NCC[NH+]2CCO[C@@H](C2)C3=CC=CC=C3

InChI

InChI=1S/C21H25N3O3S/c1-28-19-10-6-5-9-17(19)23-21(26)20(25)22-11-12-24-13-14-27-18(15-24)16-7-3-2-4-8-16/h2-10,18H,11-15H2,1H3,(H,22,25)(H,23,26)/p+1/t18-/m0/s1