7-benzamido-3-[[2-(2-hydroxyethyl)-1-methyl-pyrrolidin-1-ium-1-yl]methyl]-8-oxidanylidene-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate

Systemtic Name: 7-benzamido-3-[[2-(2-hydroxyethyl)-1-methyl-pyrrolidin-1-ium-1-yl]methyl]-8-oxidanylidene-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate Openeye Name: 7-benzamido-3-[[2-(2-hydroxyethyl)-1-methyl-pyrrolidin-1-ium-1-yl]methyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate CAS Name: 7-benzamido-3-[[2-(2-hydroxyethyl)-1-methyl-1-pyrrolidin-1-iumyl]methyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate IUPAC Name: 7-benzamido-3-[[2-(2-hydroxyethyl)-1-methylpyrrolidin-1-ium-1-yl]methyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate Traditional Name: 7-benzamido-3-[[2-(2-hydroxyethyl)-1-methyl-pyrrolidin-1-ium-1-yl]methyl]-8-keto-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate Formula: C22H27N3O5S MolecularWeight: 445.53188

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1(CCCC1CCO)CC2=C(N3C(C(C3=O)NC(=O)C4=CC=CC=C4)SC2)C(=O)[O-]

Isomeric SMILES

C[N+]1(CCCC1CCO)CC2=C(N3C(C(C3=O)NC(=O)C4=CC=CC=C4)SC2)C(=O)[O-]

InChI

InChI=1S/C22H27N3O5S/c1-25(10-5-8-16(25)9-11-26)12-15-13-31-21-17(20(28)24(21)18(15)22(29)30)23-19(27)14-6-3-2-4-7-14/h2-4,6-7,16-17,21,26H,5,8-13H2,1H3,(H-,23,27,29,30)