2-piperazin-4-ium-1-yl-1,3-benzoxazole iodide

Systemtic Name: 2-piperazin-4-ium-1-yl-1,3-benzoxazole iodide Openeye Name: 2-piperazin-4-ium-1-yl-1,3-benzoxazole iodide CAS Name: 2-(1-piperazin-4-iumyl)-1,3-benzoxazole iodide IUPAC Name: 2-piperazin-4-ium-1-yl-1,3-benzoxazole iodide Traditional Name: 2-piperazin-4-ium-1-yl-1,3-benzoxazole iodide Formula: C11H14IN3O MolecularWeight: 331.15283

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH2+]1)C2=NC3=CC=CC=C3O2.[I-]

Isomeric SMILES

C1CN(CC[NH2+]1)C2=NC3=CC=CC=C3O2.[I-]

InChI

InChI=1S/C11H13N3O.HI/c1-2-4-10-9(3-1)13-11(15-10)14-7-5-12-6-8-14;/h1-4,12H,5-8H2;1H