(5R,6S)-6-(1-hydroxyethyl)-3-[[2-iodanyl-5-[2-(3-methylimidazol-3-ium-1-yl)ethyl]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-5-[2-(3-methylimidazol-3-ium-1-yl)ethyl]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-5-[2-(3-methylimidazol-3-ium-1-yl)ethyl]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-5-[2-(3-methyl-1-imidazol-3-iumyl)ethyl]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-5-[2-(3-methylimidazol-3-ium-1-yl)ethyl]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-5-[2-(3-methylimidazol-3-ium-1-yl)ethyl]phenoxy]methyl]-7-keto-4-methyl-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylate Formula: C23H26IN3O5 MolecularWeight: 551.37411

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Descriptors Computed from Structure

Canonical SMILES:

CC1C2C(C(=O)N2C(=C1COC3=C(C=CC(=C3)CCN4C=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=CC(=C3)CCN4C=C[N+](=C4)C)I)C(=O)[O-])C(C)O

InChI

InChI=1S/C23H26IN3O5/c1-13-16(21(23(30)31)27-20(13)19(14(2)28)22(27)29)11-32-18-10-15(4-5-17(18)24)6-7-26-9-8-25(3)12-26/h4-5,8-10,12-14,19-20,28H,6-7,11H2,1-3H3/t13?,14?,19-,20-/m1/s1