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

Systemtic Name: 3-[[2-(aminocarbonyloxymethyl)-2-methyl-pyrrolidin-1-ium-1-yl]methyl]-8-oxidanylidene-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate Openeye Name: 3-[[2-(carbamoyloxymethyl)-2-methyl-pyrrolidin-1-ium-1-yl]methyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate CAS Name: 3-[[2-(carbamoyloxymethyl)-2-methyl-1-pyrrolidin-1-iumyl]methyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate IUPAC Name: 3-[[2-(carbamoyloxymethyl)-2-methylpyrrolidin-1-ium-1-yl]methyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate Traditional Name: 3-[[2-(carbamoyloxymethyl)-2-methyl-pyrrolidin-1-ium-1-yl]methyl]-8-keto-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate Formula: C15H21N3O5S MolecularWeight: 355.40934

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CCC[NH+]1CC2=C(N3C(CC3=O)SC2)C(=O)[O-])COC(=O)N

Isomeric SMILES

CC1(CCC[NH+]1CC2=C(N3C(CC3=O)SC2)C(=O)[O-])COC(=O)N

InChI

InChI=1S/C15H21N3O5S/c1-15(8-23-14(16)22)3-2-4-17(15)6-9-7-24-11-5-10(19)18(11)12(9)13(20)21/h11H,2-8H2,1H3,(H2,16,22)(H,20,21)