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

Systemtic Name: (1-nonylpyridin-1-ium-3-yl)-phenyl-methanone bromide Openeye Name: (1-nonylpyridin-1-ium-3-yl)-phenyl-methanone bromide CAS Name: (1-nonyl-3-pyridin-1-iumyl)-phenylmethanone bromide IUPAC Name: (1-nonylpyridin-1-ium-3-yl)-phenylmethanone bromide Traditional Name: (1-nonylpyridin-1-ium-3-yl)-phenyl-methanone bromide Formula: C21H28BrNO MolecularWeight: 390.35712

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC[N+]1=CC=CC(=C1)C(=O)C2=CC=CC=C2.[Br-]

Isomeric SMILES

CCCCCCCCC[N+]1=CC=CC(=C1)C(=O)C2=CC=CC=C2.[Br-]

InChI

InChI=1S/C21H28NO.BrH/c1-2-3-4-5-6-7-11-16-22-17-12-15-20(18-22)21(23)19-13-9-8-10-14-19;/h8-10,12-15,17-18H,2-7,11,16H2,1H3;1H/q+1;/p-1