3-[[2-(hydroxymethyl)-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-(hydroxymethyl)-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-(hydroxymethyl)-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-(hydroxymethyl)-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-(hydroxymethyl)-2-methylpyrrolidin-1-ium-1-yl]methyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate Traditional Name: 8-keto-3-[(2-methyl-2-methylol-pyrrolidin-1-ium-1-yl)methyl]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate Formula: C14H20N2O4S MolecularWeight: 312.3846

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H20N2O4S/c1-14(8-17)3-2-4-15(14)6-9-7-21-11-5-10(18)16(11)12(9)13(19)20/h11,17H,2-8H2,1H3,(H,19,20)