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

Systemtic Name: 7-[2-(2-hydroxyethyl)-1-methyl-pyrrolidin-1-ium-1-yl]-7-methyl-8-oxidanylidene-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate Openeye Name: 7-[2-(2-hydroxyethyl)-1-methyl-pyrrolidin-1-ium-1-yl]-7-methyl-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate CAS Name: 7-[2-(2-hydroxyethyl)-1-methyl-1-pyrrolidin-1-iumyl]-7-methyl-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate IUPAC Name: 7-[2-(2-hydroxyethyl)-1-methylpyrrolidin-1-ium-1-yl]-7-methyl-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate Traditional Name: 7-[2-(2-hydroxyethyl)-1-methyl-pyrrolidin-1-ium-1-yl]-8-keto-7-methyl-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate Formula: C15H22N2O4S MolecularWeight: 326.41118

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Descriptors Computed from Structure

Canonical SMILES:

CC1(C2N(C1=O)C(=CCS2)C(=O)[O-])[N+]3(CCCC3CCO)C

Isomeric SMILES

CC1(C2N(C1=O)C(=CCS2)C(=O)[O-])[N+]3(CCCC3CCO)C

InChI

InChI=1S/C15H22N2O4S/c1-15(17(2)7-3-4-10(17)5-8-18)13(21)16-11(12(19)20)6-9-22-14(15)16/h6,10,14,18H,3-5,7-9H2,1-2H3