4-methylsulfanyl-N-[(1S)-2-morpholin-4-ium-4-yl-1-phenyl-ethyl]benzamide

Systemtic Name: 4-methylsulfanyl-N-[(1S)-2-morpholin-4-ium-4-yl-1-phenyl-ethyl]benzamide Openeye Name: 4-methylsulfanyl-N-[(1S)-2-morpholin-4-ium-4-yl-1-phenyl-ethyl]benzamide CAS Name: 4-(methylthio)-N-[(1S)-2-(4-morpholin-4-iumyl)-1-phenylethyl]benzamide IUPAC Name: 4-methylsulfanyl-N-[(1S)-2-morpholin-4-ium-4-yl-1-phenylethyl]benzamide Traditional Name: 4-(methylthio)-N-[(1S)-2-morpholin-4-ium-4-yl-1-phenyl-ethyl]benzamide Formula: C20H25N2O2S+ MolecularWeight: 357.4897

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC=C(C=C1)C(=O)NC(C[NH+]2CCOCC2)C3=CC=CC=C3

Isomeric SMILES

CSC1=CC=C(C=C1)C(=O)N[C@H](C[NH+]2CCOCC2)C3=CC=CC=C3

InChI

InChI=1S/C20H24N2O2S/c1-25-18-9-7-17(8-10-18)20(23)21-19(16-5-3-2-4-6-16)15-22-11-13-24-14-12-22/h2-10,19H,11-15H2,1H3,(H,21,23)/p+1/t19-/m1/s1