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

Systemtic Name: (1-heptylpyridin-1-ium-4-yl)-phenyl-methanone bromide Openeye Name: (1-heptylpyridin-1-ium-4-yl)-phenyl-methanone bromide CAS Name: (1-heptyl-4-pyridin-1-iumyl)-phenylmethanone bromide IUPAC Name: (1-heptylpyridin-1-ium-4-yl)-phenylmethanone bromide Traditional Name: (1-heptylpyridin-1-ium-4-yl)-phenyl-methanone bromide Formula: C19H24BrNO MolecularWeight: 362.30396

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H24NO.BrH/c1-2-3-4-5-9-14-20-15-12-18(13-16-20)19(21)17-10-7-6-8-11-17;/h6-8,10-13,15-16H,2-5,9,14H2,1H3;1H/q+1;/p-1