(1-phenethylpyridin-1-ium-3-yl)-phenyl-methanone bromide

Systemtic Name: (1-phenethylpyridin-1-ium-3-yl)-phenyl-methanone bromide Openeye Name: (1-phenethylpyridin-1-ium-3-yl)-phenyl-methanone bromide CAS Name: (1-phenethyl-3-pyridin-1-iumyl)-phenylmethanone bromide IUPAC Name: (1-phenethylpyridin-1-ium-3-yl)-phenylmethanone bromide Traditional Name: (1-phenethylpyridin-1-ium-3-yl)-phenyl-methanone bromide Formula: C20H18BrNO MolecularWeight: 368.26702

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H18NO.BrH/c22-20(18-10-5-2-6-11-18)19-12-7-14-21(16-19)15-13-17-8-3-1-4-9-17;/h1-12,14,16H,13,15H2;1H/q+1;/p-1