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

Systemtic Name: 7-azanyl-3-[[3-(diethylamino)pyrazin-1-ium-1-yl]methyl]-8-oxidanylidene-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate Openeye Name: 7-amino-3-[[3-(diethylamino)pyrazin-1-ium-1-yl]methyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate CAS Name: 7-amino-3-[[3-(diethylamino)-1-pyrazin-1-iumyl]methyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate IUPAC Name: 7-amino-3-[[3-(diethylamino)pyrazin-1-ium-1-yl]methyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate Traditional Name: 7-amino-3-[[3-(diethylamino)pyrazin-1-ium-1-yl]methyl]-8-keto-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate Formula: C16H21N5O3S MolecularWeight: 363.43464

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)C1=NC=C[N+](=C1)CC2=C(N3C(C(C3=O)N)SC2)C(=O)[O-]

Isomeric SMILES

CCN(CC)C1=NC=C[N+](=C1)CC2=C(N3C(C(C3=O)N)SC2)C(=O)[O-]

InChI

InChI=1S/C16H21N5O3S/c1-3-20(4-2)11-8-19(6-5-18-11)7-10-9-25-15-12(17)14(22)21(15)13(10)16(23)24/h5-6,8,12,15H,3-4,7,9,17H2,1-2H3