4-azanyl-8-oxidanylidene-3-(pyridin-1-ium-1-ylmethyl)-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate dihydrochloride

Systemtic Name: 4-azanyl-8-oxidanylidene-3-(pyridin-1-ium-1-ylmethyl)-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate dihydrochloride Openeye Name: 4-amino-8-oxo-3-(pyridin-1-ium-1-ylmethyl)-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate dihydrochloride CAS Name: 4-amino-8-oxo-3-(1-pyridin-1-iumylmethyl)-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate dihydrochloride IUPAC Name: 4-amino-8-oxo-3-(pyridin-1-ium-1-ylmethyl)-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate dihydrochloride Traditional Name: 4-amino-8-keto-3-(pyridin-1-ium-1-ylmethyl)-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate dihydrochloride Formula: C13H15Cl2N3O3S MolecularWeight: 364.2475

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Descriptors Computed from Structure

Canonical SMILES:

C1C2N(C1=O)C(=C(C(S2)N)C[N+]3=CC=CC=C3)C(=O)[O-].Cl.Cl

Isomeric SMILES

C1C2N(C1=O)C(=C(C(S2)N)C[N+]3=CC=CC=C3)C(=O)[O-].Cl.Cl

InChI

InChI=1S/C13H13N3O3S.2ClH/c14-12-8(7-15-4-2-1-3-5-15)11(13(18)19)16-9(17)6-10(16)20-12;;/h1-5,10,12H,6-7,14H2;2*1H