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

Systemtic Name: 4-(methylsulfanylmethyl)-N-[(1S)-2-morpholin-4-ium-4-yl-1-phenyl-ethyl]benzamide Openeye Name: 4-(methylsulfanylmethyl)-N-[(1S)-2-morpholin-4-ium-4-yl-1-phenyl-ethyl]benzamide CAS Name: 4-[(methylthio)methyl]-N-[(1S)-2-(4-morpholin-4-iumyl)-1-phenylethyl]benzamide IUPAC Name: 4-(methylsulfanylmethyl)-N-[(1S)-2-morpholin-4-ium-4-yl-1-phenylethyl]benzamide Traditional Name: 4-[(methylthio)methyl]-N-[(1S)-2-morpholin-4-ium-4-yl-1-phenyl-ethyl]benzamide Formula: C21H27N2O2S+ MolecularWeight: 371.51628

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Descriptors Computed from Structure

Canonical SMILES:

CSCC1=CC=C(C=C1)C(=O)NC(C[NH+]2CCOCC2)C3=CC=CC=C3

Isomeric SMILES

CSCC1=CC=C(C=C1)C(=O)N[C@H](C[NH+]2CCOCC2)C3=CC=CC=C3

InChI

InChI=1S/C21H26N2O2S/c1-26-16-17-7-9-19(10-8-17)21(24)22-20(18-5-3-2-4-6-18)15-23-11-13-25-14-12-23/h2-10,20H,11-16H2,1H3,(H,22,24)/p+1/t20-/m1/s1