3-(4-fluorophenyl)sulfanyl-N-[(1R)-1-(4-methylphenyl)-2-morpholin-4-ium-4-yl-ethyl]propanamide

Systemtic Name: 3-(4-fluorophenyl)sulfanyl-N-[(1R)-1-(4-methylphenyl)-2-morpholin-4-ium-4-yl-ethyl]propanamide Openeye Name: 3-(4-fluorophenyl)sulfanyl-N-[(1R)-2-morpholin-4-ium-4-yl-1-(p-tolyl)ethyl]propanamide CAS Name: 3-[(4-fluorophenyl)thio]-N-[(1R)-1-(4-methylphenyl)-2-(4-morpholin-4-iumyl)ethyl]propanamide IUPAC Name: 3-(4-fluorophenyl)sulfanyl-N-[(1R)-1-(4-methylphenyl)-2-morpholin-4-ium-4-ylethyl]propanamide Traditional Name: 3-[(4-fluorophenyl)thio]-N-[(1R)-2-morpholin-4-ium-4-yl-1-(p-tolyl)ethyl]propionamide Formula: C22H28FN2O2S+ MolecularWeight: 403.533323

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(C[NH+]2CCOCC2)NC(=O)CCSC3=CC=C(C=C3)F

Isomeric SMILES

CC1=CC=C(C=C1)[C@H](C[NH+]2CCOCC2)NC(=O)CCSC3=CC=C(C=C3)F

InChI

InChI=1S/C22H27FN2O2S/c1-17-2-4-18(5-3-17)21(16-25-11-13-27-14-12-25)24-22(26)10-15-28-20-8-6-19(23)7-9-20/h2-9,21H,10-16H2,1H3,(H,24,26)/p+1/t21-/m0/s1