7-benzamido-3-[(1-methylpyrrolidin-1-ium-1-yl)methyl]-8-oxidanylidene-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid

Systemtic Name: 7-benzamido-3-[(1-methylpyrrolidin-1-ium-1-yl)methyl]-8-oxidanylidene-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Openeye Name: 7-benzamido-3-[(1-methylpyrrolidin-1-ium-1-yl)methyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid CAS Name: 7-benzamido-3-[(1-methyl-1-pyrrolidin-1-iumyl)methyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid IUPAC Name: 7-benzamido-3-[(1-methylpyrrolidin-1-ium-1-yl)methyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Traditional Name: 7-benzamido-8-keto-3-[(1-methylpyrrolidin-1-ium-1-yl)methyl]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Formula: C20H24N3O4S+ MolecularWeight: 402.48726

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1(CCCC1)CC2=C(N3C(C(C3=O)NC(=O)C4=CC=CC=C4)SC2)C(=O)O

Isomeric SMILES

C[N+]1(CCCC1)CC2=C(N3C(C(C3=O)NC(=O)C4=CC=CC=C4)SC2)C(=O)O

InChI

InChI=1S/C20H23N3O4S/c1-23(9-5-6-10-23)11-14-12-28-19-15(18(25)22(19)16(14)20(26)27)21-17(24)13-7-3-2-4-8-13/h2-4,7-8,15,19H,5-6,9-12H2,1H3,(H-,21,24,26,27)/p+1