2-[[1-(carboxymethyl)-1-hexyl-imidazol-1-ium-2-yl]carbamoyl]-6-oxidanyl-benzoic acid

Systemtic Name: 2-[[1-(carboxymethyl)-1-hexyl-imidazol-1-ium-2-yl]carbamoyl]-6-oxidanyl-benzoic acid Openeye Name: 2-[[1-(carboxymethyl)-1-hexyl-imidazol-1-ium-2-yl]carbamoyl]-6-hydroxy-benzoic acid CAS Name: 2-[[[1-(carboxymethyl)-1-hexyl-2-imidazol-1-iumyl]amino]-oxomethyl]-6-hydroxybenzoic acid IUPAC Name: 2-[[1-(carboxymethyl)-1-hexylimidazol-1-ium-2-yl]carbamoyl]-6-hydroxybenzoic acid Traditional Name: 2-[[1-(carboxymethyl)-1-hexyl-imidazol-1-ium-2-yl]carbamoyl]-6-hydroxy-benzoic acid Formula: C19H24N3O6+ MolecularWeight: 390.41036

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H23N3O6/c1-2-3-4-5-10-22(12-15(24)25)11-9-20-19(22)21-17(26)13-7-6-8-14(23)16(13)18(27)28/h6-9,11H,2-5,10,12H2,1H3,(H3-,20,21,23,24,25,26,27,28)/p+1