3-[(E)-3-[4-aminocarbonyl-1-(2-hydroxyethyl)piperidin-1-ium-1-yl]prop-1-enyl]-7-[[(2E)-2-(5-azanyl-1,2,4-thiadiazol-3-yl)-2-(fluoranylmethoxyimino)ethanoyl]amino]-8-oxidanylidene-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid

Systemtic Name: 3-[(E)-3-[4-aminocarbonyl-1-(2-hydroxyethyl)piperidin-1-ium-1-yl]prop-1-enyl]-7-[[(2E)-2-(5-azanyl-1,2,4-thiadiazol-3-yl)-2-(fluoranylmethoxyimino)ethanoyl]amino]-8-oxidanylidene-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Openeye Name: 7-[[(2E)-2-(5-amino-1,2,4-thiadiazol-3-yl)-2-(fluoromethoxyimino)acetyl]amino]-3-[(E)-3-[4-carbamoyl-1-(2-hydroxyethyl)piperidin-1-ium-1-yl]prop-1-enyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid CAS Name: 7-[[(2E)-2-(5-amino-1,2,4-thiadiazol-3-yl)-2-(fluoromethoxyimino)-1-oxoethyl]amino]-3-[(E)-3-[4-carbamoyl-1-(2-hydroxyethyl)-1-piperidin-1-iumyl]prop-1-enyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid IUPAC Name: 7-[[(2E)-2-(5-amino-1,2,4-thiadiazol-3-yl)-2-(fluoromethoxyimino)acetyl]amino]-3-[(E)-3-[4-carbamoyl-1-(2-hydroxyethyl)piperidin-1-ium-1-yl]prop-1-enyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Traditional Name: 7-[[(2E)-2-(5-amino-1,2,4-thiadiazol-3-yl)-2-(fluoromethyloximino)acetyl]amino]-3-[(E)-3-[4-carbamoyl-1-(2-hydroxyethyl)piperidin-1-ium-1-yl]prop-1-enyl]-8-keto-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Formula: C23H30FN8O7S2+ MolecularWeight: 613.662103

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Descriptors Computed from Structure

Canonical SMILES:

C1C[N+](CCC1C(=O)N)(CCO)CC=CC2=C(N3C(C(C3=O)NC(=O)C(=NOCF)C4=NSC(=N4)N)SC2)C(=O)O

Isomeric SMILES

C1C[N+](CCC1C(=O)N)(CCO)C/C=C/C2=C(N3C(C(C3=O)NC(=O)/C(=N/OCF)/C4=NSC(=N4)N)SC2)C(=O)O

InChI

InChI=1S/C23H29FN8O7S2/c24-11-39-29-14(18-28-23(26)41-30-18)19(35)27-15-20(36)31-16(22(37)38)13(10-40-21(15)31)2-1-5-32(8-9-33)6-3-12(4-7-32)17(25)34/h1-2,12,15,21,33H,3-11H2,(H5-,25,26,27,28,30,34,35,37,38)/p+1/b2-1+,29-14+