2-[methyl(pyridin-1-ium-1-ylsulfanylmethyl)amino]-5-thia-1-azabicyclo[4.2.0]oct-2-en-8-one

Systemtic Name: 2-[methyl(pyridin-1-ium-1-ylsulfanylmethyl)amino]-5-thia-1-azabicyclo[4.2.0]oct-2-en-8-one Openeye Name: 2-[methyl(pyridin-1-ium-1-ylsulfanylmethyl)amino]-5-thia-1-azabicyclo[4.2.0]oct-2-en-8-one CAS Name: 2-[methyl-[(1-pyridin-1-iumylthio)methyl]amino]-5-thia-1-azabicyclo[4.2.0]oct-2-en-8-one IUPAC Name: 2-[methyl(pyridin-1-ium-1-ylsulfanylmethyl)amino]-5-thia-1-azabicyclo[4.2.0]oct-2-en-8-one Traditional Name: 2-[methyl-[(pyridin-1-ium-1-ylthio)methyl]amino]-5-thia-1-azabicyclo[4.2.0]oct-2-en-8-one Formula: C13H16N3OS2+ MolecularWeight: 294.41564

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Descriptors Computed from Structure

Canonical SMILES:

CN(CS[N+]1=CC=CC=C1)C2=CCSC3N2C(=O)C3

Isomeric SMILES

CN(CS[N+]1=CC=CC=C1)C2=CCSC3N2C(=O)C3

InChI

InChI=1S/C13H16N3OS2/c1-14(10-19-15-6-3-2-4-7-15)11-5-8-18-13-9-12(17)16(11)13/h2-7,13H,8-10H2,1H3/q+1