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

Systemtic Name: potassium (5R,6S)-6-[(1R)-1-oxidanylethyl]-7-oxidanylidene-3-[4-[[4-(sulfonatomethyl)pyridin-1-ium-1-yl]methyl]phenyl]-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylate Openeye Name: potassium (5R,6S)-6-[(1R)-1-hydroxyethyl]-7-oxo-3-[4-[[4-(sulfonatomethyl)pyridin-1-ium-1-yl]methyl]phenyl]-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylate CAS Name: potassium (5R,6S)-6-[(1R)-1-hydroxyethyl]-7-oxo-3-[4-[[4-(sulfonatomethyl)-1-pyridin-1-iumyl]methyl]phenyl]-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylate IUPAC Name: potassium (5R,6S)-6-[(1R)-1-hydroxyethyl]-7-oxo-3-[4-[[4-(sulfonatomethyl)pyridin-1-ium-1-yl]methyl]phenyl]-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylate Traditional Name: potassium (5R,6S)-6-[(1R)-1-hydroxyethyl]-7-keto-3-[4-[[4-(sulfonatomethyl)pyridin-1-ium-1-yl]methyl]phenyl]-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylate Formula: C22H21KN2O7S MolecularWeight: 496.57464

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

InChI

InChI=1S/C22H22N2O7S.K/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);/q;+1/p-1/t13-,18-,19-;/m1./s1