methyl 2-(2,3,4,5,6-pentadeuteriopyridin-1-ium-1-yl)ethanoate

Systemtic Name: methyl 2-(2,3,4,5,6-pentadeuteriopyridin-1-ium-1-yl)ethanoate Openeye Name: methyl 2-(2,3,4,5,6-pentadeuteriopyridin-1-ium-1-yl)acetate CAS Name: 2-(2,3,4,5,6-pentadeuterio-1-pyridin-1-iumyl)acetic acid methyl ester IUPAC Name: methyl 2-(2,3,4,5,6-pentadeuteriopyridin-1-ium-1-yl)acetate Traditional Name: 2-(2,3,4,5,6-pentadeuteriopyridin-1-ium-1-yl)acetic acid methyl ester Formula: C8H10NO2+ MolecularWeight: 157.201309

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C[N+]1=CC=CC=C1

Isomeric SMILES

[2H]C1=C(C(=[N+](C(=C1[2H])[2H])CC(=O)OC)[2H])[2H]

InChI

InChI=1S/C8H10NO2/c1-11-8(10)7-9-5-3-2-4-6-9/h2-6H,7H2,1H3/q+1/i2D,3D,4D,5D,6D