N-[(2S)-2-(4-fluorophenyl)-2-morpholin-4-ium-4-yl-ethyl]-2-(2-methylphenyl)sulfanyl-ethanamide

Systemtic Name: N-[(2S)-2-(4-fluorophenyl)-2-morpholin-4-ium-4-yl-ethyl]-2-(2-methylphenyl)sulfanyl-ethanamide Openeye Name: N-[(2S)-2-(4-fluorophenyl)-2-morpholin-4-ium-4-yl-ethyl]-2-(o-tolylsulfanyl)acetamide CAS Name: N-[(2S)-2-(4-fluorophenyl)-2-(4-morpholin-4-iumyl)ethyl]-2-[(2-methylphenyl)thio]acetamide IUPAC Name: N-[(2S)-2-(4-fluorophenyl)-2-morpholin-4-ium-4-ylethyl]-2-(2-methylphenyl)sulfanylacetamide Traditional Name: N-[(2S)-2-(4-fluorophenyl)-2-morpholin-4-ium-4-yl-ethyl]-2-(o-tolylthio)acetamide Formula: C21H26FN2O2S+ MolecularWeight: 389.506743

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1SCC(=O)NCC(C2=CC=C(C=C2)F)[NH+]3CCOCC3

Isomeric SMILES

CC1=CC=CC=C1SCC(=O)NC[C@H](C2=CC=C(C=C2)F)[NH+]3CCOCC3

InChI

InChI=1S/C21H25FN2O2S/c1-16-4-2-3-5-20(16)27-15-21(25)23-14-19(24-10-12-26-13-11-24)17-6-8-18(22)9-7-17/h2-9,19H,10-15H2,1H3,(H,23,25)/p+1/t19-/m1/s1