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

Systemtic Name: 5-methyl-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)-5-methyl-1,3-benzoxazole iodide CAS Name: 5-methyl-2-(4-methyl-4-prop-2-enyl-1-piperazin-4-iumyl)-1,3-benzoxazole iodide IUPAC Name: 5-methyl-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)-5-methyl-1,3-benzoxazole iodide Formula: C16H22IN3O MolecularWeight: 399.26985

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)OC(=N2)N3CC[N+](CC3)(C)CC=C.[I-]

Isomeric SMILES

CC1=CC2=C(C=C1)OC(=N2)N3CC[N+](CC3)(C)CC=C.[I-]

InChI

InChI=1S/C16H22N3O.HI/c1-4-9-19(3)10-7-18(8-11-19)16-17-14-12-13(2)5-6-15(14)20-16;/h4-6,12H,1,7-11H2,2-3H3;1H/q+1;/p-1