2-[1-(1,3-benzoxazol-2-yl)piperazin-1-ium-1-yl]butane-1,4-diol iodide

Systemtic Name: 2-[1-(1,3-benzoxazol-2-yl)piperazin-1-ium-1-yl]butane-1,4-diol iodide Openeye Name: 2-[1-(1,3-benzoxazol-2-yl)piperazin-1-ium-1-yl]butane-1,4-diol iodide CAS Name: 2-[1-(1,3-benzoxazol-2-yl)-1-piperazin-1-iumyl]butane-1,4-diol iodide IUPAC Name: 2-[1-(1,3-benzoxazol-2-yl)piperazin-1-ium-1-yl]butane-1,4-diol iodide Traditional Name: 2-[1-(1,3-benzoxazol-2-yl)piperazin-1-ium-1-yl]butane-1,4-diol iodide Formula: C15H22IN3O3 MolecularWeight: 419.25795

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Descriptors Computed from Structure

Canonical SMILES:

C1C[N+](CCN1)(C2=NC3=CC=CC=C3O2)C(CCO)CO.[I-]

Isomeric SMILES

C1C[N+](CCN1)(C2=NC3=CC=CC=C3O2)C(CCO)CO.[I-]

InChI

InChI=1S/C15H22N3O3.HI/c19-10-5-12(11-20)18(8-6-16-7-9-18)15-17-13-3-1-2-4-14(13)21-15;/h1-4,12,16,19-20H,5-11H2;1H/q+1;/p-1