4-phenyl-1-pyridin-1-ium-1-yl-butan-2-one iodide

Systemtic Name: 4-phenyl-1-pyridin-1-ium-1-yl-butan-2-one iodide Openeye Name: 4-phenyl-1-pyridin-1-ium-1-yl-butan-2-one iodide CAS Name: 4-phenyl-1-(1-pyridin-1-iumyl)-2-butanone iodide IUPAC Name: 4-phenyl-1-pyridin-1-ium-1-ylbutan-2-one iodide Traditional Name: 4-phenyl-1-pyridin-1-ium-1-yl-butan-2-one iodide Formula: C15H16INO MolecularWeight: 353.19811

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H16NO.HI/c17-15(13-16-11-5-2-6-12-16)10-9-14-7-3-1-4-8-14;/h1-8,11-12H,9-10,13H2;1H/q+1;/p-1