(1-hexylpyridin-1-ium-4-yl)-phenyl-methanone bromide

Systemtic Name: (1-hexylpyridin-1-ium-4-yl)-phenyl-methanone bromide Openeye Name: (1-hexylpyridin-1-ium-4-yl)-phenyl-methanone bromide CAS Name: (1-hexyl-4-pyridin-1-iumyl)-phenylmethanone bromide IUPAC Name: (1-hexylpyridin-1-ium-4-yl)-phenylmethanone bromide Traditional Name: (1-hexylpyridin-1-ium-4-yl)-phenyl-methanone bromide Formula: C18H22BrNO MolecularWeight: 348.27738

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H22NO.BrH/c1-2-3-4-8-13-19-14-11-17(12-15-19)18(20)16-9-6-5-7-10-16;/h5-7,9-12,14-15H,2-4,8,13H2,1H3;1H/q+1;/p-1