(E)-2,4-dideuterio-2-deuteriooxycarbonyl-5-phenyl-3-pyridin-1-ium-1-yl-pent-4-enoate

Systemtic Name: (E)-2,4-dideuterio-2-deuteriooxycarbonyl-5-phenyl-3-pyridin-1-ium-1-yl-pent-4-enoate Openeye Name: (E)-2,4-dideuterio-2-deuteriooxycarbonyl-5-phenyl-3-pyridin-1-ium-1-yl-pent-4-enoate CAS Name: (E)-2,4-dideuterio-2-[deuteriooxy(oxo)methyl]-5-phenyl-3-(1-pyridin-1-iumyl)-4-pentenoate IUPAC Name: (E)-2,4-dideuterio-2-deuteriooxycarbonyl-5-phenyl-3-pyridin-1-ium-1-ylpent-4-enoate Traditional Name: (E)-2,4-dideuterio-2-deuteriooxycarbonyl-5-phenyl-3-pyridin-1-ium-1-yl-pent-4-enoate Formula: C17H15NO4 MolecularWeight: 300.323785

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C=CC(C(C(=O)O)C(=O)[O-])[N+]2=CC=CC=C2

Isomeric SMILES

[2H]/C(=C\C1=CC=CC=C1)/C(C([2H])(C(=O)[O-])C(=O)O[2H])[N+]2=CC=CC=C2

InChI

InChI=1S/C17H15NO4/c19-16(20)15(17(21)22)14(18-11-5-2-6-12-18)10-9-13-7-3-1-4-8-13/h1-12,14-15H,(H-,19,20,21,22)/b10-9+/i10D,15D/hD