4-pyridin-1-ium-1-yl-1-(2,4,6-trimethylphenyl)butan-1-one bromide

Systemtic Name: 4-pyridin-1-ium-1-yl-1-(2,4,6-trimethylphenyl)butan-1-one bromide Openeye Name: 4-pyridin-1-ium-1-yl-1-(2,4,6-trimethylphenyl)butan-1-one bromide CAS Name: 4-(1-pyridin-1-iumyl)-1-(2,4,6-trimethylphenyl)-1-butanone bromide IUPAC Name: 4-pyridin-1-ium-1-yl-1-(2,4,6-trimethylphenyl)butan-1-one bromide Traditional Name: 1-mesityl-4-pyridin-1-ium-1-yl-butan-1-one bromide Formula: C18H22BrNO MolecularWeight: 348.27738

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1)C)C(=O)CCC[N+]2=CC=CC=C2)C.[Br-]

Isomeric SMILES

CC1=CC(=C(C(=C1)C)C(=O)CCC[N+]2=CC=CC=C2)C.[Br-]

InChI

InChI=1S/C18H22NO.BrH/c1-14-12-15(2)18(16(3)13-14)17(20)8-7-11-19-9-5-4-6-10-19;/h4-6,9-10,12-13H,7-8,11H2,1-3H3;1H/q+1;/p-1