3-phenyl-4-pyridin-1-ium-1-yl-butan-2-one bromide

Systemtic Name: 3-phenyl-4-pyridin-1-ium-1-yl-butan-2-one bromide Openeye Name: 3-phenyl-4-pyridin-1-ium-1-yl-butan-2-one bromide CAS Name: 3-phenyl-4-(1-pyridin-1-iumyl)-2-butanone bromide IUPAC Name: 3-phenyl-4-pyridin-1-ium-1-ylbutan-2-one bromide Traditional Name: 3-phenyl-4-pyridin-1-ium-1-yl-butan-2-one bromide Formula: C15H16BrNO MolecularWeight: 306.19764

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H16NO.BrH/c1-13(17)15(14-8-4-2-5-9-14)12-16-10-6-3-7-11-16;/h2-11,15H,12H2,1H3;1H/q+1;/p-1