4-[[3-fluoranyl-1-(2-oxidanylidene-3-phenyl-1,3-oxazolidin-5-yl)-4-phenylmethoxycarbonyl-piperazin-1-ium-1-yl]methyl]-4-nitro-cyclohexa-1,5-diene-1-sulfonic acid

Systemtic Name: 4-[[3-fluoranyl-1-(2-oxidanylidene-3-phenyl-1,3-oxazolidin-5-yl)-4-phenylmethoxycarbonyl-piperazin-1-ium-1-yl]methyl]-4-nitro-cyclohexa-1,5-diene-1-sulfonic acid Openeye Name: 4-[[4-benzyloxycarbonyl-3-fluoro-1-(2-oxo-3-phenyl-oxazolidin-5-yl)piperazin-1-ium-1-yl]methyl]-4-nitro-cyclohexa-1,5-diene-1-sulfonic acid CAS Name: 4-[[3-fluoro-1-(2-oxo-3-phenyl-5-oxazolidinyl)-4-phenylmethoxycarbonyl-1-piperazin-1-iumyl]methyl]-4-nitro-1-cyclohexa-1,5-dienesulfonic acid IUPAC Name: 4-[[3-fluoro-1-(2-oxo-3-phenyl-1,3-oxazolidin-5-yl)-4-phenylmethoxycarbonylpiperazin-1-ium-1-yl]methyl]-4-nitrocyclohexa-1,5-diene-1-sulfonic acid Traditional Name: 4-[[4-carbobenzoxy-3-fluoro-1-(2-keto-3-phenyl-oxazolidin-5-yl)piperazin-1-ium-1-yl]methyl]-4-nitro-cyclohexa-1,5-diene-1-sulfonic acid Formula: C28H30FN4O9S+ MolecularWeight: 617.622603

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Descriptors Computed from Structure

Canonical SMILES:

C1C[N+](CC(N1C(=O)OCC2=CC=CC=C2)F)(CC3(CC=C(C=C3)S(=O)(=O)O)[N+](=O)[O-])C4CN(C(=O)O4)C5=CC=CC=C5

Isomeric SMILES

C1C[N+](CC(N1C(=O)OCC2=CC=CC=C2)F)(CC3(CC=C(C=C3)S(=O)(=O)O)[N+](=O)[O-])C4CN(C(=O)O4)C5=CC=CC=C5

InChI

InChI=1S/C28H29FN4O9S/c29-24-18-33(25-17-31(27(35)42-25)22-9-5-2-6-10-22,16-15-30(24)26(34)41-19-21-7-3-1-4-8-21)20-28(32(36)37)13-11-23(12-14-28)43(38,39)40/h1-13,24-25H,14-20H2/p+1