2-[2-(9H-fluoren-9-ylcarbonylamino)-1-hexyl-imidazol-1-ium-1-yl]ethanoic acid

Systemtic Name: 2-[2-(9H-fluoren-9-ylcarbonylamino)-1-hexyl-imidazol-1-ium-1-yl]ethanoic acid Openeye Name: 2-[2-(9H-fluorene-9-carbonylamino)-1-hexyl-imidazol-1-ium-1-yl]acetic acid CAS Name: 2-[2-[[9H-fluoren-9-yl(oxo)methyl]amino]-1-hexyl-1-imidazol-1-iumyl]acetic acid IUPAC Name: 2-[2-(9H-fluorene-9-carbonylamino)-1-hexylimidazol-1-ium-1-yl]acetic acid Traditional Name: 2-[2-(9H-fluorene-9-carbonylamino)-1-hexyl-imidazol-1-ium-1-yl]acetic acid Formula: C25H28N3O3+ MolecularWeight: 418.50812

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC[N+]1(C=CN=C1NC(=O)C2C3=CC=CC=C3C4=CC=CC=C24)CC(=O)O

Isomeric SMILES

CCCCCC[N+]1(C=CN=C1NC(=O)C2C3=CC=CC=C3C4=CC=CC=C24)CC(=O)O

InChI

InChI=1S/C25H27N3O3/c1-2-3-4-9-15-28(17-22(29)30)16-14-26-25(28)27-24(31)23-20-12-7-5-10-18(20)19-11-6-8-13-21(19)23/h5-8,10-14,16,23H,2-4,9,15,17H2,1H3,(H-,26,27,29,30,31)/p+1