1-pyridin-1-ium-1-ylprop-2-en-1-one sulfate

Systemtic Name: 1-pyridin-1-ium-1-ylprop-2-en-1-one sulfate Openeye Name: 1-pyridin-1-ium-1-ylprop-2-en-1-one sulfate CAS Name: 1-(1-pyridin-1-iumyl)-2-propen-1-one sulfate IUPAC Name: 1-pyridin-1-ium-1-ylprop-2-en-1-one sulfate Traditional Name: 1-pyridin-1-ium-1-ylprop-2-en-1-one sulfate Formula: C16H16N2O6S MolecularWeight: 364.37304

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Descriptors Computed from Structure

Canonical SMILES:

C=CC(=O)[N+]1=CC=CC=C1.C=CC(=O)[N+]1=CC=CC=C1.[O-]S(=O)(=O)[O-]

Isomeric SMILES

C=CC(=O)[N+]1=CC=CC=C1.C=CC(=O)[N+]1=CC=CC=C1.[O-]S(=O)(=O)[O-]

InChI

InChI=1S/2C8H8NO.H2O4S/c2*1-2-8(10)9-6-4-3-5-7-9;1-5(2,3)4/h2*2-7H,1H2;(H2,1,2,3,4)/q2*+1;/p-2