3-hexyl-2-methyl-1,3-benzoxazol-3-ium iodide

Systemtic Name: 3-hexyl-2-methyl-1,3-benzoxazol-3-ium iodide Openeye Name: 3-hexyl-2-methyl-1,3-benzoxazol-3-ium iodide CAS Name: 3-hexyl-2-methyl-1,3-benzoxazol-3-ium iodide IUPAC Name: 3-hexyl-2-methyl-1,3-benzoxazol-3-ium iodide Traditional Name: 3-hexyl-2-methyl-1,3-benzoxazol-3-ium iodide Formula: C14H20INO MolecularWeight: 345.21917

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC[N+]1=C(OC2=CC=CC=C21)C.[I-]

Isomeric SMILES

CCCCCC[N+]1=C(OC2=CC=CC=C21)C.[I-]

InChI

InChI=1S/C14H20NO.HI/c1-3-4-5-8-11-15-12(2)16-14-10-7-6-9-13(14)15;/h6-7,9-10H,3-5,8,11H2,1-2H3;1H/q+1;/p-1