(4S)-2-phenyl-4-(pyridin-1-ium-2-ylamino)-4-(trifluoromethyl)-1H-imidazol-3-ium-5-one

Systemtic Name: (4S)-2-phenyl-4-(pyridin-1-ium-2-ylamino)-4-(trifluoromethyl)-1H-imidazol-3-ium-5-one Openeye Name: (4S)-2-phenyl-4-(pyridin-1-ium-2-ylamino)-4-(trifluoromethyl)-1H-imidazol-3-ium-5-one CAS Name: (4S)-2-phenyl-4-(2-pyridin-1-iumylamino)-4-(trifluoromethyl)-1H-imidazol-3-ium-5-one IUPAC Name: (4S)-2-phenyl-4-(pyridin-1-ium-2-ylamino)-4-(trifluoromethyl)-1H-imidazol-3-ium-5-one Traditional Name: (5S)-2-phenyl-5-(pyridin-1-ium-2-ylamino)-5-(trifluoromethyl)-2-imidazolin-1-ium-4-one Formula: C15H13F3N4O+2 MolecularWeight: 322.28513

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=[NH+]C(C(=O)N2)(C(F)(F)F)NC3=CC=CC=[NH+]3

Isomeric SMILES

C1=CC=C(C=C1)C2=[NH+][C@@](C(=O)N2)(C(F)(F)F)NC3=CC=CC=[NH+]3

InChI

InChI=1S/C15H11F3N4O/c16-15(17,18)14(21-11-8-4-5-9-19-11)13(23)20-12(22-14)10-6-2-1-3-7-10/h1-9H,(H,19,21)(H,20,22,23)/p+2/t14-/m0/s1