1-[(7-azanyl-8-oxidanylidene-5-thia-1-azabicyclo[4.2.0]oct-2-en-3-yl)methyl]pyridin-1-ium-4-carboxylate dihydrochloride

Systemtic Name: 1-[(7-azanyl-8-oxidanylidene-5-thia-1-azabicyclo[4.2.0]oct-2-en-3-yl)methyl]pyridin-1-ium-4-carboxylate dihydrochloride Openeye Name: 1-[(7-amino-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-en-3-yl)methyl]pyridin-1-ium-4-carboxylate dihydrochloride CAS Name: 1-[(7-amino-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-en-3-yl)methyl]-4-pyridin-1-iumcarboxylate dihydrochloride IUPAC Name: 1-[(7-amino-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-en-3-yl)methyl]pyridin-1-ium-4-carboxylate dihydrochloride Traditional Name: 1-[(7-amino-8-keto-5-thia-1-azabicyclo[4.2.0]oct-2-en-3-yl)methyl]pyridin-1-ium-4-carboxylate dihydrochloride Formula: C13H15Cl2N3O3S MolecularWeight: 364.2475

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Descriptors Computed from Structure

Canonical SMILES:

C1C(=CN2C(S1)C(C2=O)N)C[N+]3=CC=C(C=C3)C(=O)[O-].Cl.Cl

Isomeric SMILES

C1C(=CN2C(S1)C(C2=O)N)C[N+]3=CC=C(C=C3)C(=O)[O-].Cl.Cl

InChI

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