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

Systemtic Name: (E)-1-(4-methylphenyl)-3-[3-(phenylmethyl)pyridin-1-ium-1-yl]prop-2-en-1-one Openeye Name: (E)-3-(3-benzylpyridin-1-ium-1-yl)-1-(p-tolyl)prop-2-en-1-one CAS Name: (E)-1-(4-methylphenyl)-3-[3-(phenylmethyl)-1-pyridin-1-iumyl]-2-propen-1-one IUPAC Name: (E)-3-(3-benzylpyridin-1-ium-1-yl)-1-(4-methylphenyl)prop-2-en-1-one Traditional Name: (E)-3-(3-benzylpyridin-1-ium-1-yl)-1-(p-tolyl)prop-2-en-1-one Formula: C22H20NO+ MolecularWeight: 314.4003

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(=O)C=C[N+]2=CC=CC(=C2)CC3=CC=CC=C3

Isomeric SMILES

CC1=CC=C(C=C1)C(=O)/C=C/[N+]2=CC=CC(=C2)CC3=CC=CC=C3

InChI

InChI=1S/C22H20NO/c1-18-9-11-21(12-10-18)22(24)13-15-23-14-5-8-20(17-23)16-19-6-3-2-4-7-19/h2-15,17H,16H2,1H3/q+1/b15-13+