(3R,4R,6S)-3,5-dideuterio-2-oxidanylidene-6-phenyl-4-pyridin-1-ium-1-yl-oxane-3-carboxylate

Systemtic Name: (3R,4R,6S)-3,5-dideuterio-2-oxidanylidene-6-phenyl-4-pyridin-1-ium-1-yl-oxane-3-carboxylate Openeye Name: (3R,4R,6S)-3,5-dideuterio-2-oxo-6-phenyl-4-pyridin-1-ium-1-yl-tetrahydropyran-3-carboxylate CAS Name: (3R,4R,6S)-3,5-dideuterio-2-oxo-6-phenyl-4-(1-pyridin-1-iumyl)-3-oxanecarboxylate IUPAC Name: (3R,4R,6S)-3,5-dideuterio-2-oxo-6-phenyl-4-pyridin-1-ium-1-yloxane-3-carboxylate Traditional Name: (3R,4R,6S)-3,5-dideuterio-2-keto-6-phenyl-4-pyridin-1-ium-1-yl-tetrahydropyran-3-carboxylate Formula: C17H15NO4 MolecularWeight: 299.317624

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Descriptors Computed from Structure

Canonical SMILES:

C1C(C(C(=O)OC1C2=CC=CC=C2)C(=O)[O-])[N+]3=CC=CC=C3

Isomeric SMILES

[2H]C1[C@H](OC(=O)[C@@]([C@@H]1[N+]2=CC=CC=C2)([2H])C(=O)[O-])C3=CC=CC=C3

InChI

InChI=1S/C17H15NO4/c19-16(20)15-13(18-9-5-2-6-10-18)11-14(22-17(15)21)12-7-3-1-4-8-12/h1-10,13-15H,11H2/t13-,14+,15-/m1/s1/i11D,15D/t11?,13-,14+,15-