(6R,7S)-7-[[(2Z)-2-(2-azanyl-1,3-thiazol-4-yl)-2-methoxyimino-ethanoyl]amino]-3-(6,7-dihydro-5H-cyclopenta[b]pyridin-1-ium-1-yl)-8-oxidanylidene-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid

Systemtic Name: (6R,7S)-7-[[(2Z)-2-(2-azanyl-1,3-thiazol-4-yl)-2-methoxyimino-ethanoyl]amino]-3-(6,7-dihydro-5H-cyclopenta[b]pyridin-1-ium-1-yl)-8-oxidanylidene-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Openeye Name: (6R,7S)-7-[[(2Z)-2-(2-aminothiazol-4-yl)-2-methoxyimino-acetyl]amino]-3-(6,7-dihydro-5H-cyclopenta[b]pyridin-1-ium-1-yl)-8-oxo-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid CAS Name: (6R,7S)-7-[[(2Z)-2-(2-amino-4-thiazolyl)-2-methoxyimino-1-oxoethyl]amino]-3-(6,7-dihydro-5H-cyclopenta[b]pyridin-1-ium-1-yl)-8-oxo-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid IUPAC Name: (6R,7S)-7-[[(2Z)-2-(2-amino-1,3-thiazol-4-yl)-2-methoxyiminoacetyl]amino]-3-(6,7-dihydro-5H-cyclopenta[b]pyridin-1-ium-1-yl)-8-oxo-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Traditional Name: (6R,7S)-7-[[(2Z)-2-(2-aminothiazol-4-yl)-2-methyloximino-acetyl]amino]-8-keto-3-(1-pyrindan-1-ium-1-yl)-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Formula: C22H23N6O5S+ MolecularWeight: 483.52022

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Descriptors Computed from Structure

Canonical SMILES:

CON=C(C1=CSC(=N1)N)C(=O)NC2C3CCC(=C(N3C2=O)C(=O)O)[N+]4=CC=CC5=C4CCC5

Isomeric SMILES

CO/N=C(/C1=CSC(=N1)N)\C(=O)N[C@H]2[C@H]3CCC(=C(N3C2=O)C(=O)O)[N+]4=CC=CC5=C4CCC5

InChI

InChI=1S/C22H22N6O5S/c1-33-26-16(12-10-34-22(23)24-12)19(29)25-17-14-7-8-15(18(21(31)32)28(14)20(17)30)27-9-3-5-11-4-2-6-13(11)27/h3,5,9-10,14,17H,2,4,6-8H2,1H3,(H3-,23,24,25,29,31,32)/p+1/b26-16-/t14-,17+/m1/s1