prop-2-enyl 3-[[2-iodanyl-4-[(3-methylimidazol-3-ium-1-yl)methyl]phenoxy]methyl]-4-methyl-7-oxidanylidene-6-(1-oxidanylidene-1-prop-2-enylperoxy-propan-2-yl)-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylate

Systemtic Name: prop-2-enyl 3-[[2-iodanyl-4-[(3-methylimidazol-3-ium-1-yl)methyl]phenoxy]methyl]-4-methyl-7-oxidanylidene-6-(1-oxidanylidene-1-prop-2-enylperoxy-propan-2-yl)-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylate Openeye Name: allyl 6-(2-allylperoxy-1-methyl-2-oxo-ethyl)-3-[[2-iodo-4-[(3-methylimidazol-3-ium-1-yl)methyl]phenoxy]methyl]-4-methyl-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylate CAS Name: 3-[[2-iodo-4-[(3-methyl-1-imidazol-3-iumyl)methyl]phenoxy]methyl]-4-methyl-7-oxo-6-(1-oxo-1-prop-2-enyldioxypropan-2-yl)-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid prop-2-enyl ester IUPAC Name: prop-2-enyl 3-[[2-iodo-4-[(3-methylimidazol-3-ium-1-yl)methyl]phenoxy]methyl]-4-methyl-7-oxo-6-(1-oxo-1-prop-2-enylperoxypropan-2-yl)-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylate Traditional Name: 6-(2-allylperoxy-2-keto-1-methyl-ethyl)-3-[[2-iodo-4-[(3-methylimidazol-3-ium-1-yl)methyl]phenoxy]methyl]-7-keto-4-methyl-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid allyl ester Formula: C29H33IN3O7+ MolecularWeight: 662.49269

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Descriptors Computed from Structure

Canonical SMILES:

CC1C2C(C(=O)N2C(=C1COC3=C(C=C(C=C3)CN4C=C[N+](=C4)C)I)C(=O)OCC=C)C(C)C(=O)OOCC=C

Isomeric SMILES

CC1C2C(C(=O)N2C(=C1COC3=C(C=C(C=C3)CN4C=C[N+](=C4)C)I)C(=O)OCC=C)C(C)C(=O)OOCC=C

InChI

InChI=1S/C29H33IN3O7/c1-6-12-37-29(36)26-21(16-38-23-9-8-20(14-22(23)30)15-32-11-10-31(5)17-32)18(3)25-24(27(34)33(25)26)19(4)28(35)40-39-13-7-2/h6-11,14,17-19,24-25H,1-2,12-13,15-16H2,3-5H3/q+1