[1-(3-methylbutyl)pyridin-1-ium-3-yl]-phenyl-methanone bromide

Systemtic Name: [1-(3-methylbutyl)pyridin-1-ium-3-yl]-phenyl-methanone bromide Openeye Name: (1-isopentylpyridin-1-ium-3-yl)-phenyl-methanone bromide CAS Name: [1-(3-methylbutyl)-3-pyridin-1-iumyl]-phenylmethanone bromide IUPAC Name: [1-(3-methylbutyl)pyridin-1-ium-3-yl]-phenylmethanone bromide Traditional Name: (1-isoamylpyridin-1-ium-3-yl)-phenyl-methanone bromide Formula: C17H20BrNO MolecularWeight: 334.2508

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H20NO.BrH/c1-14(2)10-12-18-11-6-9-16(13-18)17(19)15-7-4-3-5-8-15;/h3-9,11,13-14H,10,12H2,1-2H3;1H/q+1;/p-1