1-(4-nitrophenyl)-2-(4-pentylpyridin-1-ium-1-yl)ethanone bromide

Systemtic Name: 1-(4-nitrophenyl)-2-(4-pentylpyridin-1-ium-1-yl)ethanone bromide Openeye Name: 1-(4-nitrophenyl)-2-(4-pentylpyridin-1-ium-1-yl)ethanone bromide CAS Name: 1-(4-nitrophenyl)-2-(4-pentyl-1-pyridin-1-iumyl)ethanone bromide IUPAC Name: 1-(4-nitrophenyl)-2-(4-pentylpyridin-1-ium-1-yl)ethanone bromide Traditional Name: 2-(4-amylpyridin-1-ium-1-yl)-1-(4-nitrophenyl)ethanone bromide Formula: C18H21BrN2O3 MolecularWeight: 393.27494

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC1=CC=[N+](C=C1)CC(=O)C2=CC=C(C=C2)[N+](=O)[O-].[Br-]

Isomeric SMILES

CCCCCC1=CC=[N+](C=C1)CC(=O)C2=CC=C(C=C2)[N+](=O)[O-].[Br-]

InChI

InChI=1S/C18H21N2O3.BrH/c1-2-3-4-5-15-10-12-19(13-11-15)14-18(21)16-6-8-17(9-7-16)20(22)23;/h6-13H,2-5,14H2,1H3;1H/q+1;/p-1