N-[(1R)-1-(4-methylphenyl)-2-morpholin-4-ium-4-yl-ethyl]-4-methylsulfanyl-benzamide

Systemtic Name: N-[(1R)-1-(4-methylphenyl)-2-morpholin-4-ium-4-yl-ethyl]-4-methylsulfanyl-benzamide Openeye Name: 4-methylsulfanyl-N-[(1R)-2-morpholin-4-ium-4-yl-1-(p-tolyl)ethyl]benzamide CAS Name: N-[(1R)-1-(4-methylphenyl)-2-(4-morpholin-4-iumyl)ethyl]-4-(methylthio)benzamide IUPAC Name: N-[(1R)-1-(4-methylphenyl)-2-morpholin-4-ium-4-ylethyl]-4-methylsulfanylbenzamide Traditional Name: 4-(methylthio)-N-[(1R)-2-morpholin-4-ium-4-yl-1-(p-tolyl)ethyl]benzamide Formula: C21H27N2O2S+ MolecularWeight: 371.51628

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(C[NH+]2CCOCC2)NC(=O)C3=CC=C(C=C3)SC

Isomeric SMILES

CC1=CC=C(C=C1)[C@H](C[NH+]2CCOCC2)NC(=O)C3=CC=C(C=C3)SC

InChI

InChI=1S/C21H26N2O2S/c1-16-3-5-17(6-4-16)20(15-23-11-13-25-14-12-23)22-21(24)18-7-9-19(26-2)10-8-18/h3-10,20H,11-15H2,1-2H3,(H,22,24)/p+1/t20-/m0/s1