(3S)-N-(2-morpholin-4-ium-4-ylethyl)-5-oxidanylidene-1-[3-(trifluoromethyl)phenyl]pyrrolidine-3-carboxamide

Systemtic Name: (3S)-N-(2-morpholin-4-ium-4-ylethyl)-5-oxidanylidene-1-[3-(trifluoromethyl)phenyl]pyrrolidine-3-carboxamide Openeye Name: (3S)-N-(2-morpholin-4-ium-4-ylethyl)-5-oxo-1-[3-(trifluoromethyl)phenyl]pyrrolidine-3-carboxamide CAS Name: (3S)-N-[2-(4-morpholin-4-iumyl)ethyl]-5-oxo-1-[3-(trifluoromethyl)phenyl]-3-pyrrolidinecarboxamide IUPAC Name: (3S)-N-(2-morpholin-4-ium-4-ylethyl)-5-oxo-1-[3-(trifluoromethyl)phenyl]pyrrolidine-3-carboxamide Traditional Name: (3S)-5-keto-N-(2-morpholin-4-ium-4-ylethyl)-1-[3-(trifluoromethyl)phenyl]pyrrolidine-3-carboxamide Formula: C18H23F3N3O3+ MolecularWeight: 386.38873

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Descriptors Computed from Structure

Canonical SMILES:

C1COCC[NH+]1CCNC(=O)C2CC(=O)N(C2)C3=CC=CC(=C3)C(F)(F)F

Isomeric SMILES

C1COCC[NH+]1CCNC(=O)[C@H]2CC(=O)N(C2)C3=CC=CC(=C3)C(F)(F)F

InChI

InChI=1S/C18H22F3N3O3/c19-18(20,21)14-2-1-3-15(11-14)24-12-13(10-16(24)25)17(26)22-4-5-23-6-8-27-9-7-23/h1-3,11,13H,4-10,12H2,(H,22,26)/p+1/t13-/m0/s1