(2S)-2-[2-(morpholin-4-ium-4-ylmethyl)quinazolin-4-yl]sulfanyl-N-[3-(trifluoromethyl)phenyl]propanamide

Systemtic Name: (2S)-2-[2-(morpholin-4-ium-4-ylmethyl)quinazolin-4-yl]sulfanyl-N-[3-(trifluoromethyl)phenyl]propanamide Openeye Name: (2S)-2-[2-(morpholin-4-ium-4-ylmethyl)quinazolin-4-yl]sulfanyl-N-[3-(trifluoromethyl)phenyl]propanamide CAS Name: (2S)-2-[[2-(4-morpholin-4-iumylmethyl)-4-quinazolinyl]thio]-N-[3-(trifluoromethyl)phenyl]propanamide IUPAC Name: (2S)-2-[2-(morpholin-4-ium-4-ylmethyl)quinazolin-4-yl]sulfanyl-N-[3-(trifluoromethyl)phenyl]propanamide Traditional Name: (2S)-2-[[2-(morpholin-4-ium-4-ylmethyl)quinazolin-4-yl]thio]-N-[3-(trifluoromethyl)phenyl]propionamide Formula: C23H24F3N4O2S+ MolecularWeight: 477.52247

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC=CC(=C1)C(F)(F)F)SC2=NC(=NC3=CC=CC=C32)C[NH+]4CCOCC4

Isomeric SMILES

C[C@@H](C(=O)NC1=CC=CC(=C1)C(F)(F)F)SC2=NC(=NC3=CC=CC=C32)C[NH+]4CCOCC4

InChI

InChI=1S/C23H23F3N4O2S/c1-15(21(31)27-17-6-4-5-16(13-17)23(24,25)26)33-22-18-7-2-3-8-19(18)28-20(29-22)14-30-9-11-32-12-10-30/h2-8,13,15H,9-12,14H2,1H3,(H,27,31)/p+1/t15-/m0/s1