(5R,6S)-6-[(1R)-1-oxidanylethyl]-7-oxidanylidene-3-[4-[[4-(sulfomethyl)pyridin-1-ium-1-yl]methyl]phenyl]-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid

Systemtic Name: (5R,6S)-6-[(1R)-1-oxidanylethyl]-7-oxidanylidene-3-[4-[[4-(sulfomethyl)pyridin-1-ium-1-yl]methyl]phenyl]-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid Openeye Name: (5R,6S)-6-[(1R)-1-hydroxyethyl]-7-oxo-3-[4-[[4-(sulfomethyl)pyridin-1-ium-1-yl]methyl]phenyl]-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid CAS Name: (5R,6S)-6-[(1R)-1-hydroxyethyl]-7-oxo-3-[4-[[4-(sulfomethyl)-1-pyridin-1-iumyl]methyl]phenyl]-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid IUPAC Name: (5R,6S)-6-[(1R)-1-hydroxyethyl]-7-oxo-3-[4-[[4-(sulfomethyl)pyridin-1-ium-1-yl]methyl]phenyl]-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid Traditional Name: (5R,6S)-6-[(1R)-1-hydroxyethyl]-7-keto-3-[4-[[4-(sulfomethyl)pyridin-1-ium-1-yl]methyl]phenyl]-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid Formula: C22H23N2O7S+ MolecularWeight: 459.49222

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C1C2CC(=C(N2C1=O)C(=O)O)C3=CC=C(C=C3)C[N+]4=CC=C(C=C4)CS(=O)(=O)O)O

Isomeric SMILES

C[C@H]([C@@H]1[C@H]2CC(=C(N2C1=O)C(=O)O)C3=CC=C(C=C3)C[N+]4=CC=C(C=C4)CS(=O)(=O)O)O

InChI

InChI=1S/C22H22N2O7S/c1-13(25)19-18-10-17(20(22(27)28)24(18)21(19)26)16-4-2-14(3-5-16)11-23-8-6-15(7-9-23)12-32(29,30)31/h2-9,13,18-19,25H,10-12H2,1H3,(H-,27,28,29,30,31)/p+1/t13-,18-,19-/m1/s1