(5R,6S)-6-(1-hydroxyethyl)-3-[[2-iodanyl-4-[(3-methylimidazol-3-ium-1-yl)methyl]phenoxy]methyl]-4-methyl-7-oxidanylidene-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylate

Systemtic Name: (5R,6S)-6-(1-hydroxyethyl)-3-[[2-iodanyl-4-[(3-methylimidazol-3-ium-1-yl)methyl]phenoxy]methyl]-4-methyl-7-oxidanylidene-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylate Openeye Name: (5R,6S)-6-(1-hydroxyethyl)-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: (5R,6S)-6-(1-hydroxyethyl)-3-[[2-iodo-4-[(3-methyl-1-imidazol-3-iumyl)methyl]phenoxy]methyl]-4-methyl-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylate IUPAC Name: (5R,6S)-6-(1-hydroxyethyl)-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 Traditional Name: (5R,6S)-6-(1-hydroxyethyl)-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-carboxylate Formula: C22H24IN3O5 MolecularWeight: 537.34753

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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)[O-])C(C)O

Isomeric SMILES

CC1[C@@H]2[C@H](C(=O)N2C(=C1COC3=C(C=C(C=C3)CN4C=C[N+](=C4)C)I)C(=O)[O-])C(C)O

InChI

InChI=1S/C22H24IN3O5/c1-12-15(20(22(29)30)26-19(12)18(13(2)27)21(26)28)10-31-17-5-4-14(8-16(17)23)9-25-7-6-24(3)11-25/h4-8,11-13,18-19,27H,9-10H2,1-3H3/t12?,13?,18-,19-/m1/s1