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

Systemtic Name: 3-[5-(iodanylmethyl)-5-methyl-3-(phenylmethyl)-4H-1,3-oxazol-3-ium-2-yl]propyl ethanoate Openeye Name: 3-[3-benzyl-5-(iodomethyl)-5-methyl-4H-oxazol-3-ium-2-yl]propyl acetate CAS Name: acetic acid 3-[5-(iodomethyl)-5-methyl-3-(phenylmethyl)-4H-oxazol-3-ium-2-yl]propyl ester IUPAC Name: 3-[3-benzyl-5-(iodomethyl)-5-methyl-4H-1,3-oxazol-3-ium-2-yl]propyl acetate Traditional Name: acetic acid 3-[3-benzyl-5-(iodomethyl)-5-methyl-2-oxazolin-3-ium-2-yl]propyl ester Formula: C17H23INO3+ MolecularWeight: 416.27389

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H23INO3/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/q+1