(E)-3-[1-[(3-chlorophenyl)methyl]pyridin-1-ium-4-yl]-1-(3-hydroxyphenyl)prop-2-en-1-one chloride

Systemtic Name: (E)-3-[1-[(3-chlorophenyl)methyl]pyridin-1-ium-4-yl]-1-(3-hydroxyphenyl)prop-2-en-1-one chloride Openeye Name: (E)-3-[1-[(3-chlorophenyl)methyl]pyridin-1-ium-4-yl]-1-(3-hydroxyphenyl)prop-2-en-1-one chloride CAS Name: (E)-3-[1-[(3-chlorophenyl)methyl]-4-pyridin-1-iumyl]-1-(3-hydroxyphenyl)-2-propen-1-one chloride IUPAC Name: (E)-3-[1-[(3-chlorophenyl)methyl]pyridin-1-ium-4-yl]-1-(3-hydroxyphenyl)prop-2-en-1-one chloride Traditional Name: (E)-3-[1-(3-chlorobenzyl)pyridin-1-ium-4-yl]-1-(3-hydroxyphenyl)prop-2-en-1-one chloride Formula: C21H17Cl2NO2 MolecularWeight: 386.27118

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)Cl)C[N+]2=CC=C(C=C2)C=CC(=O)C3=CC(=CC=C3)O.[Cl-]

Isomeric SMILES

C1=CC(=CC(=C1)Cl)C[N+]2=CC=C(C=C2)/C=C/C(=O)C3=CC(=CC=C3)O.[Cl-]

InChI

InChI=1S/C21H16ClNO2.ClH/c22-19-5-1-3-17(13-19)15-23-11-9-16(10-12-23)7-8-21(25)18-4-2-6-20(24)14-18;/h1-14H,15H2;1H/b8-7+;