(E)-1-(4-fluorophenyl)-3-[3-(phenylmethyl)pyridin-1-ium-1-yl]prop-2-en-1-one

Systemtic Name: (E)-1-(4-fluorophenyl)-3-[3-(phenylmethyl)pyridin-1-ium-1-yl]prop-2-en-1-one Openeye Name: (E)-3-(3-benzylpyridin-1-ium-1-yl)-1-(4-fluorophenyl)prop-2-en-1-one CAS Name: (E)-1-(4-fluorophenyl)-3-[3-(phenylmethyl)-1-pyridin-1-iumyl]-2-propen-1-one IUPAC Name: (E)-3-(3-benzylpyridin-1-ium-1-yl)-1-(4-fluorophenyl)prop-2-en-1-one Traditional Name: (E)-3-(3-benzylpyridin-1-ium-1-yl)-1-(4-fluorophenyl)prop-2-en-1-one Formula: C21H17FNO+ MolecularWeight: 318.364183

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CC2=C[N+](=CC=C2)C=CC(=O)C3=CC=C(C=C3)F

Isomeric SMILES

C1=CC=C(C=C1)CC2=C[N+](=CC=C2)/C=C/C(=O)C3=CC=C(C=C3)F

InChI

InChI=1S/C21H17FNO/c22-20-10-8-19(9-11-20)21(24)12-14-23-13-4-7-18(16-23)15-17-5-2-1-3-6-17/h1-14,16H,15H2/q+1/b14-12+