potassium (5R,6S)-3-[4-[(3-carboxylatopyridin-1-ium-1-yl)methyl]phenyl]-6-[(1R)-1-oxidanylethyl]-7-oxidanylidene-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylate

Systemtic Name: potassium (5R,6S)-3-[4-[(3-carboxylatopyridin-1-ium-1-yl)methyl]phenyl]-6-[(1R)-1-oxidanylethyl]-7-oxidanylidene-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylate Openeye Name: potassium (5R,6S)-3-[4-[(3-carboxylatopyridin-1-ium-1-yl)methyl]phenyl]-6-[(1R)-1-hydroxyethyl]-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylate CAS Name: potassium (5R,6S)-3-[4-[(3-carboxylato-1-pyridin-1-iumyl)methyl]phenyl]-6-[(1R)-1-hydroxyethyl]-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylate IUPAC Name: potassium (5R,6S)-3-[4-[(3-carboxylatopyridin-1-ium-1-yl)methyl]phenyl]-6-[(1R)-1-hydroxyethyl]-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylate Traditional Name: potassium (5R,6S)-3-[4-[(3-carboxylatopyridin-1-ium-1-yl)methyl]phenyl]-6-[(1R)-1-hydroxyethyl]-7-keto-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylate Formula: C22H19KN2O6 MolecularWeight: 446.49436

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1C2CC(=C(N2C1=O)C(=O)[O-])C3=CC=C(C=C3)C[N+]4=CC=CC(=C4)C(=O)[O-])O.[K+]

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=CC(=C4)C(=O)[O-])O.[K+]

InChI

InChI=1S/C22H20N2O6.K/c1-12(25)18-17-9-16(19(22(29)30)24(17)20(18)26)14-6-4-13(5-7-14)10-23-8-2-3-15(11-23)21(27)28;/h2-8,11-12,17-18,25H,9-10H2,1H3,(H-,27,28,29,30);/q;+1/p-1/t12-,17-,18-;/m1./s1