1-phenyl-2-pyridin-1-ium-1-yl-hexan-1-one iodide

Systemtic Name: 1-phenyl-2-pyridin-1-ium-1-yl-hexan-1-one iodide Openeye Name: 1-phenyl-2-pyridin-1-ium-1-yl-hexan-1-one iodide CAS Name: 1-phenyl-2-(1-pyridin-1-iumyl)-1-hexanone iodide IUPAC Name: 1-phenyl-2-pyridin-1-ium-1-ylhexan-1-one iodide Traditional Name: 1-phenyl-2-pyridin-1-ium-1-yl-hexan-1-one iodide Formula: C17H20INO MolecularWeight: 381.25127

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H20NO.HI/c1-2-3-12-16(18-13-8-5-9-14-18)17(19)15-10-6-4-7-11-15;/h4-11,13-14,16H,2-3,12H2,1H3;1H/q+1;/p-1