4-(morpholin-4-ium-4-ylmethyl)-N-[2-pyrazol-1-yl-5-(trifluoromethyl)phenyl]benzamide

Systemtic Name: 4-(morpholin-4-ium-4-ylmethyl)-N-[2-pyrazol-1-yl-5-(trifluoromethyl)phenyl]benzamide Openeye Name: 4-(morpholin-4-ium-4-ylmethyl)-N-[2-pyrazol-1-yl-5-(trifluoromethyl)phenyl]benzamide CAS Name: 4-(4-morpholin-4-iumylmethyl)-N-[2-(1-pyrazolyl)-5-(trifluoromethyl)phenyl]benzamide IUPAC Name: 4-(morpholin-4-ium-4-ylmethyl)-N-[2-pyrazol-1-yl-5-(trifluoromethyl)phenyl]benzamide Traditional Name: 4-(morpholin-4-ium-4-ylmethyl)-N-[2-pyrazol-1-yl-5-(trifluoromethyl)phenyl]benzamide Formula: C22H22F3N4O2+ MolecularWeight: 431.43089

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Descriptors Computed from Structure

Canonical SMILES:

C1COCC[NH+]1CC2=CC=C(C=C2)C(=O)NC3=C(C=CC(=C3)C(F)(F)F)N4C=CC=N4

Isomeric SMILES

C1COCC[NH+]1CC2=CC=C(C=C2)C(=O)NC3=C(C=CC(=C3)C(F)(F)F)N4C=CC=N4

InChI

InChI=1S/C22H21F3N4O2/c23-22(24,25)18-6-7-20(29-9-1-8-26-29)19(14-18)27-21(30)17-4-2-16(3-5-17)15-28-10-12-31-13-11-28/h1-9,14H,10-13,15H2,(H,27,30)/p+1