2-ethyl-1-(1-ethylpyridin-1-ium-2-yl)nonan-1-one bromide

Systemtic Name: 2-ethyl-1-(1-ethylpyridin-1-ium-2-yl)nonan-1-one bromide Openeye Name: 2-ethyl-1-(1-ethylpyridin-1-ium-2-yl)nonan-1-one bromide CAS Name: 2-ethyl-1-(1-ethyl-2-pyridin-1-iumyl)-1-nonanone bromide IUPAC Name: 2-ethyl-1-(1-ethylpyridin-1-ium-2-yl)nonan-1-one bromide Traditional Name: 2-ethyl-1-(1-ethylpyridin-1-ium-2-yl)nonan-1-one bromide Formula: C18H30BrNO MolecularWeight: 356.3409

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H30NO.BrH/c1-4-7-8-9-10-13-16(5-2)18(20)17-14-11-12-15-19(17)6-3;/h11-12,14-16H,4-10,13H2,1-3H3;1H/q+1;/p-1