6-(2-hydroxyethyl)-3-[(1-methylpyrrolidin-1-ium-1-yl)methyl]-7-oxidanylidene-4-thia-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylate

Systemtic Name: 6-(2-hydroxyethyl)-3-[(1-methylpyrrolidin-1-ium-1-yl)methyl]-7-oxidanylidene-4-thia-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylate Openeye Name: 6-(2-hydroxyethyl)-3-[(1-methylpyrrolidin-1-ium-1-yl)methyl]-7-oxo-4-thia-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylate CAS Name: 6-(2-hydroxyethyl)-3-[(1-methyl-1-pyrrolidin-1-iumyl)methyl]-7-oxo-4-thia-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylate IUPAC Name: 6-(2-hydroxyethyl)-3-[(1-methylpyrrolidin-1-ium-1-yl)methyl]-7-oxo-4-thia-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylate Traditional Name: 6-(2-hydroxyethyl)-7-keto-3-[(1-methylpyrrolidin-1-ium-1-yl)methyl]-4-thia-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylate Formula: C14H20N2O4S MolecularWeight: 312.3846

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1(CCCC1)CC2=C(N3C(S2)C(C3=O)CCO)C(=O)[O-]

Isomeric SMILES

C[N+]1(CCCC1)CC2=C(N3C(S2)C(C3=O)CCO)C(=O)[O-]

InChI

InChI=1S/C14H20N2O4S/c1-16(5-2-3-6-16)8-10-11(14(19)20)15-12(18)9(4-7-17)13(15)21-10/h9,13,17H,2-8H2,1H3