(E,2R)-2-[3-chloranyl-5-(trifluoromethyl)pyridin-2-yl]-2-morpholin-4-ium-4-yl-4-phenyl-but-3-enenitrile

Systemtic Name: (E,2R)-2-[3-chloranyl-5-(trifluoromethyl)pyridin-2-yl]-2-morpholin-4-ium-4-yl-4-phenyl-but-3-enenitrile Openeye Name: (E,2R)-2-[3-chloro-5-(trifluoromethyl)-2-pyridyl]-2-morpholin-4-ium-4-yl-4-phenyl-but-3-enenitrile CAS Name: (E,2R)-2-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-2-(4-morpholin-4-iumyl)-4-phenyl-3-butenenitrile IUPAC Name: (E,2R)-2-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]-2-morpholin-4-ium-4-yl-4-phenylbut-3-enenitrile Traditional Name: (E,2R)-2-[3-chloro-5-(trifluoromethyl)-2-pyridyl]-2-morpholin-4-ium-4-yl-4-phenyl-but-3-enenitrile Formula: C20H18ClF3N3O+ MolecularWeight: 408.82463

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Descriptors Computed from Structure

Canonical SMILES:

C1COCC[NH+]1C(C=CC2=CC=CC=C2)(C#N)C3=C(C=C(C=N3)C(F)(F)F)Cl

Isomeric SMILES

C1COCC[NH+]1[C@@](/C=C/C2=CC=CC=C2)(C#N)C3=C(C=C(C=N3)C(F)(F)F)Cl

InChI

InChI=1S/C20H17ClF3N3O/c21-17-12-16(20(22,23)24)13-26-18(17)19(14-25,27-8-10-28-11-9-27)7-6-15-4-2-1-3-5-15/h1-7,12-13H,8-11H2/p+1/b7-6+/t19-/m0/s1