prop-2-enyl 3-[[4-[(2-azanylpyridin-1-ium-1-yl)methyl]-2-iodanyl-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-[[4-[(2-azanylpyridin-1-ium-1-yl)methyl]-2-iodanyl-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-[[4-[(2-aminopyridin-1-ium-1-yl)methyl]-2-iodo-phenoxy]methyl]-4-methyl-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylate CAS Name: 3-[[4-[(2-amino-1-pyridin-1-iumyl)methyl]-2-iodophenoxy]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-[[4-[(2-aminopyridin-1-ium-1-yl)methyl]-2-iodophenoxy]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-[[4-[(2-aminopyridin-1-ium-1-yl)methyl]-2-iodo-phenoxy]methyl]-7-keto-4-methyl-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid allyl ester Formula: C30H33IN3O7+ MolecularWeight: 674.50339

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Descriptors Computed from Structure

Canonical SMILES:

CC1C2C(C(=O)N2C(=C1COC3=C(C=C(C=C3)C[N+]4=CC=CC=C4N)I)C(=O)OCC=C)C(C)C(=O)OOCC=C

Isomeric SMILES

CC1C2C(C(=O)N2C(=C1COC3=C(C=C(C=C3)C[N+]4=CC=CC=C4N)I)C(=O)OCC=C)C(C)C(=O)OOCC=C

InChI

InChI=1S/C30H32IN3O7/c1-5-13-38-30(37)27-21(18(3)26-25(28(35)34(26)27)19(4)29(36)41-40-14-6-2)17-39-23-11-10-20(15-22(23)31)16-33-12-8-7-9-24(33)32/h5-12,15,18-19,25-26,32H,1-2,13-14,16-17H2,3-4H3/p+1