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

Systemtic Name: 7-azanyl-3-[(2-methylpyrrolidin-1-ium-1-yl)methyl]-8-oxidanylidene-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate dihydrochloride Openeye Name: 7-amino-3-[(2-methylpyrrolidin-1-ium-1-yl)methyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate dihydrochloride CAS Name: 7-amino-3-[(2-methyl-1-pyrrolidin-1-iumyl)methyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate dihydrochloride IUPAC Name: 7-amino-3-[(2-methylpyrrolidin-1-ium-1-yl)methyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate dihydrochloride Traditional Name: 7-amino-8-keto-3-[(2-methylpyrrolidin-1-ium-1-yl)methyl]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate dihydrochloride Formula: C13H21Cl2N3O3S MolecularWeight: 370.29514

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC[NH+]1CC2=C(N3C(C(C3=O)N)SC2)C(=O)[O-].Cl.Cl

Isomeric SMILES

CC1CCC[NH+]1CC2=C(N3C(C(C3=O)N)SC2)C(=O)[O-].Cl.Cl

InChI

InChI=1S/C13H19N3O3S.2ClH/c1-7-3-2-4-15(7)5-8-6-20-12-9(14)11(17)16(12)10(8)13(18)19;;/h7,9,12H,2-6,14H2,1H3,(H,18,19);2*1H