3-[[2-(hydroxymethyl)-1-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)-1-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)-1-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)-1-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)-1-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-[(1-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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C[N+]1(CCCC1CO)CC2=C(N3C(CC3=O)SC2)C(=O)[O-]

Isomeric SMILES

C[N+]1(CCCC1CO)CC2=C(N3C(CC3=O)SC2)C(=O)[O-]

InChI

InChI=1S/C14H20N2O4S/c1-16(4-2-3-10(16)7-17)6-9-8-21-12-5-11(18)15(12)13(9)14(19)20/h10,12,17H,2-8H2,1H3