N-[(1R)-1-(4-methylphenyl)-2-morpholin-4-ium-4-yl-ethyl]-2-(2-methylphenyl)sulfanyl-ethanamide

Systemtic Name: N-[(1R)-1-(4-methylphenyl)-2-morpholin-4-ium-4-yl-ethyl]-2-(2-methylphenyl)sulfanyl-ethanamide Openeye Name: N-[(1R)-2-morpholin-4-ium-4-yl-1-(p-tolyl)ethyl]-2-(o-tolylsulfanyl)acetamide CAS Name: N-[(1R)-1-(4-methylphenyl)-2-(4-morpholin-4-iumyl)ethyl]-2-[(2-methylphenyl)thio]acetamide IUPAC Name: N-[(1R)-1-(4-methylphenyl)-2-morpholin-4-ium-4-ylethyl]-2-(2-methylphenyl)sulfanylacetamide Traditional Name: N-[(1R)-2-morpholin-4-ium-4-yl-1-(p-tolyl)ethyl]-2-(o-tolylthio)acetamide Formula: C22H29N2O2S+ MolecularWeight: 385.54286

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(C[NH+]2CCOCC2)NC(=O)CSC3=CC=CC=C3C

Isomeric SMILES

CC1=CC=C(C=C1)[C@H](C[NH+]2CCOCC2)NC(=O)CSC3=CC=CC=C3C

InChI

InChI=1S/C22H28N2O2S/c1-17-7-9-19(10-8-17)20(15-24-11-13-26-14-12-24)23-22(25)16-27-21-6-4-3-5-18(21)2/h3-10,20H,11-16H2,1-2H3,(H,23,25)/p+1/t20-/m0/s1