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

Systemtic Name: (E)-1-(3-bromophenyl)-3-[3-(phenylmethyl)pyridin-1-ium-1-yl]prop-2-en-1-one Openeye Name: (E)-3-(3-benzylpyridin-1-ium-1-yl)-1-(3-bromophenyl)prop-2-en-1-one CAS Name: (E)-1-(3-bromophenyl)-3-[3-(phenylmethyl)-1-pyridin-1-iumyl]-2-propen-1-one IUPAC Name: (E)-3-(3-benzylpyridin-1-ium-1-yl)-1-(3-bromophenyl)prop-2-en-1-one Traditional Name: (E)-3-(3-benzylpyridin-1-ium-1-yl)-1-(3-bromophenyl)prop-2-en-1-one Formula: C21H17BrNO+ MolecularWeight: 379.26978

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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(=CC=C3)Br

Isomeric SMILES

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

InChI

InChI=1S/C21H17BrNO/c22-20-10-4-9-19(15-20)21(24)11-13-23-12-5-8-18(16-23)14-17-6-2-1-3-7-17/h1-13,15-16H,14H2/q+1/b13-11+