methyl (E)-7-[5-(iodanylmethyl)-5-methyl-3-(phenylmethyl)-4H-1,3-oxazol-3-ium-2-yl]hept-2-enoate

Systemtic Name: methyl (E)-7-[5-(iodanylmethyl)-5-methyl-3-(phenylmethyl)-4H-1,3-oxazol-3-ium-2-yl]hept-2-enoate Openeye Name: methyl (E)-7-[3-benzyl-5-(iodomethyl)-5-methyl-4H-oxazol-3-ium-2-yl]hept-2-enoate CAS Name: (E)-7-[5-(iodomethyl)-5-methyl-3-(phenylmethyl)-4H-oxazol-3-ium-2-yl]-2-heptenoic acid methyl ester IUPAC Name: methyl (E)-7-[3-benzyl-5-(iodomethyl)-5-methyl-4H-1,3-oxazol-3-ium-2-yl]hept-2-enoate Traditional Name: (E)-7-[3-benzyl-5-(iodomethyl)-5-methyl-2-oxazolin-3-ium-2-yl]hept-2-enoic acid methyl ester Formula: C20H27INO3+ MolecularWeight: 456.33775

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1(C[N+](=C(O1)CCCCC=CC(=O)OC)CC2=CC=CC=C2)CI

Isomeric SMILES

CC1(C[N+](=C(O1)CCCC/C=C/C(=O)OC)CC2=CC=CC=C2)CI

InChI

InChI=1S/C20H27INO3/c1-20(15-21)16-22(14-17-10-6-5-7-11-17)18(25-20)12-8-3-4-9-13-19(23)24-2/h5-7,9-11,13H,3-4,8,12,14-16H2,1-2H3/q+1/b13-9+