(E)-4-(3-oxidanylpyridin-1-ium-1-yl)but-3-en-2-one chloride

Systemtic Name: (E)-4-(3-oxidanylpyridin-1-ium-1-yl)but-3-en-2-one chloride Openeye Name: (E)-4-(3-hydroxypyridin-1-ium-1-yl)but-3-en-2-one chloride CAS Name: (E)-4-(3-hydroxy-1-pyridin-1-iumyl)-3-buten-2-one chloride IUPAC Name: (E)-4-(3-hydroxypyridin-1-ium-1-yl)but-3-en-2-one chloride Traditional Name: (E)-4-(3-hydroxypyridin-1-ium-1-yl)but-3-en-2-one chloride Formula: C9H10ClNO2 MolecularWeight: 199.6342

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C9H9NO2.ClH/c1-8(11)4-6-10-5-2-3-9(12)7-10;/h2-7H,1H3;1H/b6-4+;