3-[5-(iodanylmethyl)-5-methyl-3-(phenylmethyl)-4H-1,3-oxazol-3-ium-2-yl]propyl ethanoate iodide

Systemtic Name: 3-[5-(iodanylmethyl)-5-methyl-3-(phenylmethyl)-4H-1,3-oxazol-3-ium-2-yl]propyl ethanoate iodide Openeye Name: 3-[3-benzyl-5-(iodomethyl)-5-methyl-4H-oxazol-3-ium-2-yl]propyl acetate iodide CAS Name: acetic acid 3-[5-(iodomethyl)-5-methyl-3-(phenylmethyl)-4H-oxazol-3-ium-2-yl]propyl ester iodide IUPAC Name: 3-[3-benzyl-5-(iodomethyl)-5-methyl-4H-1,3-oxazol-3-ium-2-yl]propyl acetate iodide Traditional Name: acetic acid 3-[3-benzyl-5-(iodomethyl)-5-methyl-2-oxazolin-3-ium-2-yl]propyl ester iodide Formula: C17H23I2NO3 MolecularWeight: 543.17836

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OCCCC1=[N+](CC(O1)(C)CI)CC2=CC=CC=C2.[I-]

Isomeric SMILES

CC(=O)OCCCC1=[N+](CC(O1)(C)CI)CC2=CC=CC=C2.[I-]

InChI

InChI=1S/C17H23INO3.HI/c1-14(20)21-10-6-9-16-19(13-17(2,12-18)22-16)11-15-7-4-3-5-8-15;/h3-5,7-8H,6,9-13H2,1-2H3;1H/q+1;/p-1