2-[2-azanyl-4-[2-(2-ethoxy-2-oxidanylidene-ethyl)phenyl]carbonyl-1-hexyl-imidazol-1-ium-1-yl]ethanoic acid

Systemtic Name: 2-[2-azanyl-4-[2-(2-ethoxy-2-oxidanylidene-ethyl)phenyl]carbonyl-1-hexyl-imidazol-1-ium-1-yl]ethanoic acid Openeye Name: 2-[2-amino-4-[2-(2-ethoxy-2-oxo-ethyl)benzoyl]-1-hexyl-imidazol-1-ium-1-yl]acetic acid CAS Name: 2-[2-amino-4-[[2-(2-ethoxy-2-oxoethyl)phenyl]-oxomethyl]-1-hexyl-1-imidazol-1-iumyl]acetic acid IUPAC Name: 2-[2-amino-4-[2-(2-ethoxy-2-oxoethyl)benzoyl]-1-hexylimidazol-1-ium-1-yl]acetic acid Traditional Name: 2-[2-amino-4-[2-(2-ethoxy-2-keto-ethyl)benzoyl]-1-hexyl-imidazol-1-ium-1-yl]acetic acid Formula: C22H30N3O5+ MolecularWeight: 416.4907

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC[N+]1(C=C(N=C1N)C(=O)C2=CC=CC=C2CC(=O)OCC)CC(=O)O

Isomeric SMILES

CCCCCC[N+]1(C=C(N=C1N)C(=O)C2=CC=CC=C2CC(=O)OCC)CC(=O)O

InChI

InChI=1S/C22H29N3O5/c1-3-5-6-9-12-25(15-19(26)27)14-18(24-22(25)23)21(29)17-11-8-7-10-16(17)13-20(28)30-4-2/h7-8,10-11,14H,3-6,9,12-13,15H2,1-2H3,(H2-,23,24,26,27)/p+1