(2S)-1-(4-fluorophenyl)sulfonyl-N-[(6-morpholin-4-ylpyridin-1-ium-3-yl)methyl]pyrrolidine-2-carboxamide

Systemtic Name: (2S)-1-(4-fluorophenyl)sulfonyl-N-[(6-morpholin-4-ylpyridin-1-ium-3-yl)methyl]pyrrolidine-2-carboxamide Openeye Name: (2S)-1-(4-fluorophenyl)sulfonyl-N-[(6-morpholinopyridin-1-ium-3-yl)methyl]pyrrolidine-2-carboxamide CAS Name: (2S)-1-(4-fluorophenyl)sulfonyl-N-[[6-(4-morpholinyl)-3-pyridin-1-iumyl]methyl]-2-pyrrolidinecarboxamide IUPAC Name: (2S)-1-(4-fluorophenyl)sulfonyl-N-[(6-morpholin-4-ylpyridin-1-ium-3-yl)methyl]pyrrolidine-2-carboxamide Traditional Name: (2S)-1-(4-fluorophenyl)sulfonyl-N-[(6-morpholinopyridin-1-ium-3-yl)methyl]pyrrolidine-2-carboxamide Formula: C21H26FN4O4S+ MolecularWeight: 449.518943

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CC(N(C1)S(=O)(=O)C2=CC=C(C=C2)F)C(=O)NCC3=C[NH+]=C(C=C3)N4CCOCC4

Isomeric SMILES

C1C[C@H](N(C1)S(=O)(=O)C2=CC=C(C=C2)F)C(=O)NCC3=C[NH+]=C(C=C3)N4CCOCC4

InChI

InChI=1S/C21H25FN4O4S/c22-17-4-6-18(7-5-17)31(28,29)26-9-1-2-19(26)21(27)24-15-16-3-8-20(23-14-16)25-10-12-30-13-11-25/h3-8,14,19H,1-2,9-13,15H2,(H,24,27)/p+1/t19-/m0/s1