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

Systemtic Name: (E)-1-(4-chlorophenyl)-3-(3-oxidanylpyridin-1-ium-1-yl)prop-2-en-1-one chloride Openeye Name: (E)-1-(4-chlorophenyl)-3-(3-hydroxypyridin-1-ium-1-yl)prop-2-en-1-one chloride CAS Name: (E)-1-(4-chlorophenyl)-3-(3-hydroxy-1-pyridin-1-iumyl)-2-propen-1-one chloride IUPAC Name: (E)-1-(4-chlorophenyl)-3-(3-hydroxypyridin-1-ium-1-yl)prop-2-en-1-one chloride Traditional Name: (E)-1-(4-chlorophenyl)-3-(3-hydroxypyridin-1-ium-1-yl)prop-2-en-1-one chloride Formula: C14H11Cl2NO2 MolecularWeight: 296.14864

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

C1=CC(=C[N+](=C1)/C=C/C(=O)C2=CC=C(C=C2)Cl)O.[Cl-]

InChI

InChI=1S/C14H10ClNO2.ClH/c15-12-5-3-11(4-6-12)14(18)7-9-16-8-1-2-13(17)10-16;/h1-10H;1H/b9-7+;