5-(morpholin-4-ylmethyl)-4-phenyl-2-[2-(trifluoromethyl)phenyl]-1H-pyrazol-2-ium-3-amine

Systemtic Name: 5-(morpholin-4-ylmethyl)-4-phenyl-2-[2-(trifluoromethyl)phenyl]-1H-pyrazol-2-ium-3-amine Openeye Name: 5-(morpholinomethyl)-4-phenyl-2-[2-(trifluoromethyl)phenyl]-1H-pyrazol-2-ium-3-amine CAS Name: 5-(4-morpholinylmethyl)-4-phenyl-2-[2-(trifluoromethyl)phenyl]-1H-pyrazol-2-ium-3-amine IUPAC Name: 5-(morpholin-4-ylmethyl)-4-phenyl-2-[2-(trifluoromethyl)phenyl]-1H-pyrazol-2-ium-3-amine Traditional Name: [5-(morpholinomethyl)-4-phenyl-2-[2-(trifluoromethyl)phenyl]-1H-pyrazol-2-ium-3-yl]amine Formula: C21H22F3N4O+ MolecularWeight: 403.42079

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1CC2=C(C(=[N+](N2)C3=CC=CC=C3C(F)(F)F)N)C4=CC=CC=C4

Isomeric SMILES

C1COCCN1CC2=C(C(=[N+](N2)C3=CC=CC=C3C(F)(F)F)N)C4=CC=CC=C4

InChI

InChI=1S/C21H21F3N4O/c22-21(23,24)16-8-4-5-9-18(16)28-20(25)19(15-6-2-1-3-7-15)17(26-28)14-27-10-12-29-13-11-27/h1-9H,10-14H2,(H2,25,26)/p+1