7-azanyl-8-oxidanylidene-3-(1-pyridin-1-ium-1-ylsulfanylethyl)-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate bromide

Systemtic Name: 7-azanyl-8-oxidanylidene-3-(1-pyridin-1-ium-1-ylsulfanylethyl)-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate bromide Openeye Name: 7-amino-8-oxo-3-(1-pyridin-1-ium-1-ylsulfanylethyl)-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate bromide CAS Name: 7-amino-8-oxo-3-[1-(1-pyridin-1-iumylthio)ethyl]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate bromide IUPAC Name: 7-amino-8-oxo-3-(1-pyridin-1-ium-1-ylsulfanylethyl)-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate bromide Traditional Name: 7-amino-8-keto-3-[1-(pyridin-1-ium-1-ylthio)ethyl]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate bromide Formula: C14H15BrN3O3S2- MolecularWeight: 417.3212

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=C(N2C(C(C2=O)N)SC1)C(=O)[O-])S[N+]3=CC=CC=C3.[Br-]

Isomeric SMILES

CC(C1=C(N2C(C(C2=O)N)SC1)C(=O)[O-])S[N+]3=CC=CC=C3.[Br-]

InChI

InChI=1S/C14H15N3O3S2.BrH/c1-8(22-16-5-3-2-4-6-16)9-7-21-13-10(15)12(18)17(13)11(9)14(19)20;/h2-6,8,10,13H,7,15H2,1H3;1H/p-1