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

Systemtic Name: 2-[[1-(carboxymethyl)-1-hexyl-imidazol-1-ium-2-yl]carbamoyl]benzoic acid Openeye Name: 2-[[1-(carboxymethyl)-1-hexyl-imidazol-1-ium-2-yl]carbamoyl]benzoic acid CAS Name: 2-[[[1-(carboxymethyl)-1-hexyl-2-imidazol-1-iumyl]amino]-oxomethyl]benzoic acid IUPAC Name: 2-[[1-(carboxymethyl)-1-hexylimidazol-1-ium-2-yl]carbamoyl]benzoic acid Traditional Name: 2-[[1-(carboxymethyl)-1-hexyl-imidazol-1-ium-2-yl]carbamoyl]benzoic acid Formula: C19H24N3O5+ MolecularWeight: 374.41096

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC[N+]1(C=CN=C1NC(=O)C2=CC=CC=C2C(=O)O)CC(=O)O

Isomeric SMILES

CCCCCC[N+]1(C=CN=C1NC(=O)C2=CC=CC=C2C(=O)O)CC(=O)O

InChI

InChI=1S/C19H23N3O5/c1-2-3-4-7-11-22(13-16(23)24)12-10-20-19(22)21-17(25)14-8-5-6-9-15(14)18(26)27/h5-6,8-10,12H,2-4,7,11,13H2,1H3,(H2-,20,21,23,24,25,26,27)/p+1