2-(4-methyl-4-prop-2-enyl-piperazin-4-ium-1-yl)-1,3-benzoxazol-6-ol iodide

Systemtic Name: 2-(4-methyl-4-prop-2-enyl-piperazin-4-ium-1-yl)-1,3-benzoxazol-6-ol iodide Openeye Name: 2-(4-allyl-4-methyl-piperazin-4-ium-1-yl)-1,3-benzoxazol-6-ol iodide CAS Name: 2-(4-methyl-4-prop-2-enyl-1-piperazin-4-iumyl)-1,3-benzoxazol-6-ol iodide IUPAC Name: 2-(4-methyl-4-prop-2-enylpiperazin-4-ium-1-yl)-1,3-benzoxazol-6-ol iodide Traditional Name: 2-(4-allyl-4-methyl-piperazin-4-ium-1-yl)-1,3-benzoxazol-6-ol iodide Formula: C15H20IN3O2 MolecularWeight: 401.24267

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1(CCN(CC1)C2=NC3=C(O2)C=C(C=C3)O)CC=C.[I-]

Isomeric SMILES

C[N+]1(CCN(CC1)C2=NC3=C(O2)C=C(C=C3)O)CC=C.[I-]

InChI

InChI=1S/C15H19N3O2.HI/c1-3-8-18(2)9-6-17(7-10-18)15-16-13-5-4-12(19)11-14(13)20-15;/h3-5,11H,1,6-10H2,2H3;1H