6-(1-hydroxyethyl)-7-oxidanylidene-3-(3-pyridin-1-ium-1-ylpropylsulfanyl)-4-thia-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid

Systemtic Name: 6-(1-hydroxyethyl)-7-oxidanylidene-3-(3-pyridin-1-ium-1-ylpropylsulfanyl)-4-thia-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid Openeye Name: 6-(1-hydroxyethyl)-7-oxo-3-(3-pyridin-1-ium-1-ylpropylsulfanyl)-4-thia-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid CAS Name: 6-(1-hydroxyethyl)-7-oxo-3-[3-(1-pyridin-1-iumyl)propylthio]-4-thia-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid IUPAC Name: 6-(1-hydroxyethyl)-7-oxo-3-(3-pyridin-1-ium-1-ylpropylsulfanyl)-4-thia-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid Traditional Name: 6-(1-hydroxyethyl)-7-keto-3-(3-pyridin-1-ium-1-ylpropylthio)-4-thia-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid Formula: C16H19N2O4S2+ MolecularWeight: 367.46306

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1C2N(C1=O)C(=C(S2)SCCC[N+]3=CC=CC=C3)C(=O)O)O

Isomeric SMILES

CC(C1C2N(C1=O)C(=C(S2)SCCC[N+]3=CC=CC=C3)C(=O)O)O

InChI

InChI=1S/C16H18N2O4S2/c1-10(19)11-13(20)18-12(15(21)22)16(24-14(11)18)23-9-5-8-17-6-3-2-4-7-17/h2-4,6-7,10-11,14,19H,5,8-9H2,1H3/p+1