3-[1-(1,1-dideuterio-2-methoxy-2-oxidanylidene-ethyl)pyridin-1-ium-2-yl]butanoate

Systemtic Name: 3-[1-(1,1-dideuterio-2-methoxy-2-oxidanylidene-ethyl)pyridin-1-ium-2-yl]butanoate Openeye Name: 3-[1-(1,1-dideuterio-2-methoxy-2-oxo-ethyl)pyridin-1-ium-2-yl]butanoate CAS Name: 3-[1-(1,1-dideuterio-2-methoxy-2-oxoethyl)-2-pyridin-1-iumyl]butanoate IUPAC Name: 3-[1-(1,1-dideuterio-2-methoxy-2-oxoethyl)pyridin-1-ium-2-yl]butanoate Traditional Name: 3-[1-(1,1-dideuterio-2-keto-2-methoxy-ethyl)pyridin-1-ium-2-yl]butyrate Formula: C12H15NO4 MolecularWeight: 239.264124

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Descriptors Computed from Structure

Canonical SMILES:

CC(CC(=O)[O-])C1=CC=CC=[N+]1CC(=O)OC

Isomeric SMILES

[2H]C([2H])(C(=O)OC)[N+]1=CC=CC=C1C(C)CC(=O)[O-]

InChI

InChI=1S/C12H15NO4/c1-9(7-11(14)15)10-5-3-4-6-13(10)8-12(16)17-2/h3-6,9H,7-8H2,1-2H3/i8D2