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

Systemtic Name: 1-[(7-azanyl-8-oxidanylidene-5-thia-1-azoniabicyclo[4.2.0]oct-2-en-1-yl)methyl]pyridin-1-ium-4-carboxylate dihydrochloride Openeye Name: 1-[(7-amino-8-oxo-5-thia-1-azoniabicyclo[4.2.0]oct-2-en-1-yl)methyl]pyridin-1-ium-4-carboxylate dihydrochloride CAS Name: 1-[(7-amino-8-oxo-5-thia-1-azoniabicyclo[4.2.0]oct-2-en-1-yl)methyl]-4-pyridin-1-iumcarboxylate dihydrochloride IUPAC Name: 1-[(7-amino-8-oxo-5-thia-1-azoniabicyclo[4.2.0]oct-2-en-1-yl)methyl]pyridin-1-ium-4-carboxylate dihydrochloride Traditional Name: 1-[(7-amino-8-keto-5-thia-1-azoniabicyclo[4.2.0]oct-2-en-1-yl)methyl]pyridin-1-ium-4-carboxylate dihydrochloride Formula: C13H16Cl2N3O3S+ MolecularWeight: 365.25544

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Descriptors Computed from Structure

Canonical SMILES:

C1C=C[N+]2(C(S1)C(C2=O)N)C[N+]3=CC=C(C=C3)C(=O)[O-].Cl.Cl

Isomeric SMILES

C1C=C[N+]2(C(S1)C(C2=O)N)C[N+]3=CC=C(C=C3)C(=O)[O-].Cl.Cl

InChI

InChI=1S/C13H14N3O3S.2ClH/c14-10-11(17)16(6-1-7-20-12(10)16)8-15-4-2-9(3-5-15)13(18)19;;/h1-6,10,12H,7-8,14H2;2*1H/q+1;;