N-(3-morpholin-4-ium-4-ylpropyl)-4-[5-thiophen-2-yl-3-(trifluoromethyl)pyrazol-1-yl]benzamide

Systemtic Name: N-(3-morpholin-4-ium-4-ylpropyl)-4-[5-thiophen-2-yl-3-(trifluoromethyl)pyrazol-1-yl]benzamide Openeye Name: N-(3-morpholin-4-ium-4-ylpropyl)-4-[5-(2-thienyl)-3-(trifluoromethyl)pyrazol-1-yl]benzamide CAS Name: N-[3-(4-morpholin-4-iumyl)propyl]-4-[5-thiophen-2-yl-3-(trifluoromethyl)-1-pyrazolyl]benzamide IUPAC Name: N-(3-morpholin-4-ium-4-ylpropyl)-4-[5-thiophen-2-yl-3-(trifluoromethyl)pyrazol-1-yl]benzamide Traditional Name: N-(3-morpholin-4-ium-4-ylpropyl)-4-[5-(2-thienyl)-3-(trifluoromethyl)pyrazol-1-yl]benzamide Formula: C22H24F3N4O2S+ MolecularWeight: 465.51177

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1COCC[NH+]1CCCNC(=O)C2=CC=C(C=C2)N3C(=CC(=N3)C(F)(F)F)C4=CC=CS4

Isomeric SMILES

C1COCC[NH+]1CCCNC(=O)C2=CC=C(C=C2)N3C(=CC(=N3)C(F)(F)F)C4=CC=CS4

InChI

InChI=1S/C22H23F3N4O2S/c23-22(24,25)20-15-18(19-3-1-14-32-19)29(27-20)17-6-4-16(5-7-17)21(30)26-8-2-9-28-10-12-31-13-11-28/h1,3-7,14-15H,2,8-13H2,(H,26,30)/p+1