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

Systemtic Name: 6-methoxy-2-(4-methyl-4-prop-2-enyl-piperazin-4-ium-1-yl)-1,3-benzoxazole iodide Openeye Name: 2-(4-allyl-4-methyl-piperazin-4-ium-1-yl)-6-methoxy-1,3-benzoxazole iodide CAS Name: 6-methoxy-2-(4-methyl-4-prop-2-enyl-1-piperazin-4-iumyl)-1,3-benzoxazole iodide IUPAC Name: 6-methoxy-2-(4-methyl-4-prop-2-enylpiperazin-4-ium-1-yl)-1,3-benzoxazole iodide Traditional Name: 2-(4-allyl-4-methyl-piperazin-4-ium-1-yl)-6-methoxy-1,3-benzoxazole iodide Formula: C16H22IN3O2 MolecularWeight: 415.26925

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H22N3O2.HI/c1-4-9-19(2)10-7-18(8-11-19)16-17-14-6-5-13(20-3)12-15(14)21-16;/h4-6,12H,1,7-11H2,2-3H3;1H/q+1;/p-1