ethyl N-[(5R)-4-oxidanylidene-2-phenyl-3-(pyridin-4-ylmethyl)-5-(trifluoromethyl)-1H-imidazol-3-ium-5-yl]carbamate

Systemtic Name: ethyl N-[(5R)-4-oxidanylidene-2-phenyl-3-(pyridin-4-ylmethyl)-5-(trifluoromethyl)-1H-imidazol-3-ium-5-yl]carbamate Openeye Name: ethyl N-[(5R)-4-oxo-2-phenyl-3-(4-pyridylmethyl)-5-(trifluoromethyl)-1H-imidazol-3-ium-5-yl]carbamate CAS Name: N-[(5R)-4-oxo-2-phenyl-3-(pyridin-4-ylmethyl)-5-(trifluoromethyl)-1H-imidazol-3-ium-5-yl]carbamic acid ethyl ester IUPAC Name: ethyl N-[(5R)-4-oxo-2-phenyl-3-(pyridin-4-ylmethyl)-5-(trifluoromethyl)-1H-imidazol-3-ium-5-yl]carbamate Traditional Name: N-[(4R)-5-keto-2-phenyl-1-(4-pyridylmethyl)-4-(trifluoromethyl)-2-imidazolin-1-ium-4-yl]carbamic acid ethyl ester Formula: C19H18F3N4O3+ MolecularWeight: 407.36643

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)NC1(C(=O)[N+](=C(N1)C2=CC=CC=C2)CC3=CC=NC=C3)C(F)(F)F

Isomeric SMILES

CCOC(=O)N[C@]1(C(=O)[N+](=C(N1)C2=CC=CC=C2)CC3=CC=NC=C3)C(F)(F)F

InChI

InChI=1S/C19H17F3N4O3/c1-2-29-17(28)25-18(19(20,21)22)16(27)26(12-13-8-10-23-11-9-13)15(24-18)14-6-4-3-5-7-14/h3-11H,2,12H2,1H3,(H,25,28)/p+1/t18-/m1/s1