(1,1-dimethylpiperidin-1-ium-3-yl)-phenyl-methanone bromide

Systemtic Name: (1,1-dimethylpiperidin-1-ium-3-yl)-phenyl-methanone bromide Openeye Name: (1,1-dimethylpiperidin-1-ium-3-yl)-phenyl-methanone bromide CAS Name: (1,1-dimethyl-3-piperidin-1-iumyl)-phenylmethanone bromide IUPAC Name: (1,1-dimethylpiperidin-1-ium-3-yl)-phenylmethanone bromide Traditional Name: (1,1-dimethylpiperidin-1-ium-3-yl)-phenyl-methanone bromide Formula: C14H20BrNO MolecularWeight: 298.2187

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H20NO.BrH/c1-15(2)10-6-9-13(11-15)14(16)12-7-4-3-5-8-12;/h3-5,7-8,13H,6,9-11H2,1-2H3;1H/q+1;/p-1