2-(1-hexadecylpyridin-1-ium-4-yl)-1,3-benzoxazole iodide

Systemtic Name: 2-(1-hexadecylpyridin-1-ium-4-yl)-1,3-benzoxazole iodide Openeye Name: 2-(1-hexadecylpyridin-1-ium-4-yl)-1,3-benzoxazole iodide CAS Name: 2-(1-hexadecyl-4-pyridin-1-iumyl)-1,3-benzoxazole iodide IUPAC Name: 2-(1-hexadecylpyridin-1-ium-4-yl)-1,3-benzoxazole iodide Traditional Name: 2-(1-cetylpyridin-1-ium-4-yl)-1,3-benzoxazole iodide Formula: C28H41IN2O MolecularWeight: 548.54241

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCC[N+]1=CC=C(C=C1)C2=NC3=CC=CC=C3O2.[I-]

Isomeric SMILES

CCCCCCCCCCCCCCCC[N+]1=CC=C(C=C1)C2=NC3=CC=CC=C3O2.[I-]

InChI

InChI=1S/C28H41N2O.HI/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-17-22-30-23-20-25(21-24-30)28-29-26-18-15-16-19-27(26)31-28;/h15-16,18-21,23-24H,2-14,17,22H2,1H3;1H/q+1;/p-1