1-(4-dodecylphenyl)-2-pyridin-1-ium-1-yl-ethanone iodide

Systemtic Name: 1-(4-dodecylphenyl)-2-pyridin-1-ium-1-yl-ethanone iodide Openeye Name: 1-(4-dodecylphenyl)-2-pyridin-1-ium-1-yl-ethanone iodide CAS Name: 1-(4-dodecylphenyl)-2-(1-pyridin-1-iumyl)ethanone iodide IUPAC Name: 1-(4-dodecylphenyl)-2-pyridin-1-ium-1-ylethanone iodide Traditional Name: 1-(4-laurylphenyl)-2-pyridin-1-ium-1-yl-ethanone iodide Formula: C25H36INO MolecularWeight: 493.46391

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCC1=CC=C(C=C1)C(=O)C[N+]2=CC=CC=C2.[I-]

Isomeric SMILES

CCCCCCCCCCCCC1=CC=C(C=C1)C(=O)C[N+]2=CC=CC=C2.[I-]

InChI

InChI=1S/C25H36NO.HI/c1-2-3-4-5-6-7-8-9-10-12-15-23-16-18-24(19-17-23)25(27)22-26-20-13-11-14-21-26;/h11,13-14,16-21H,2-10,12,15,22H2,1H3;1H/q+1;/p-1