2-[[1-(carboxymethyl)-1-hexyl-imidazol-1-ium-2-yl]carbamoyl]-3-fluoranyl-benzoic acid

Systemtic Name: 2-[[1-(carboxymethyl)-1-hexyl-imidazol-1-ium-2-yl]carbamoyl]-3-fluoranyl-benzoic acid Openeye Name: 2-[[1-(carboxymethyl)-1-hexyl-imidazol-1-ium-2-yl]carbamoyl]-3-fluoro-benzoic acid CAS Name: 2-[[[1-(carboxymethyl)-1-hexyl-2-imidazol-1-iumyl]amino]-oxomethyl]-3-fluorobenzoic acid IUPAC Name: 2-[[1-(carboxymethyl)-1-hexylimidazol-1-ium-2-yl]carbamoyl]-3-fluorobenzoic acid Traditional Name: 2-[[1-(carboxymethyl)-1-hexyl-imidazol-1-ium-2-yl]carbamoyl]-3-fluoro-benzoic acid Formula: C19H23FN3O5+ MolecularWeight: 392.401423

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC[N+]1(C=CN=C1NC(=O)C2=C(C=CC=C2F)C(=O)O)CC(=O)O

Isomeric SMILES

CCCCCC[N+]1(C=CN=C1NC(=O)C2=C(C=CC=C2F)C(=O)O)CC(=O)O

InChI

InChI=1S/C19H22FN3O5/c1-2-3-4-5-10-23(12-15(24)25)11-9-21-19(23)22-17(26)16-13(18(27)28)7-6-8-14(16)20/h6-9,11H,2-5,10,12H2,1H3,(H2-,21,22,24,25,26,27,28)/p+1