2-ethyl-5-(1,4,5-triphenylimidazol-1-ium-1-yl)oxy-pentanoic acid

Systemtic Name: 2-ethyl-5-(1,4,5-triphenylimidazol-1-ium-1-yl)oxy-pentanoic acid Openeye Name: 2-ethyl-5-(1,4,5-triphenylimidazol-1-ium-1-yl)oxy-pentanoic acid CAS Name: 2-ethyl-5-[(1,4,5-triphenyl-1-imidazol-1-iumyl)oxy]pentanoic acid IUPAC Name: 2-ethyl-5-(1,4,5-triphenylimidazol-1-ium-1-yl)oxypentanoic acid Traditional Name: 2-ethyl-5-(1,4,5-triphenylimidazol-1-ium-1-yl)oxy-valeric acid Formula: C28H29N2O3+ MolecularWeight: 441.54146

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(CCCO[N+]1(C=NC(=C1C2=CC=CC=C2)C3=CC=CC=C3)C4=CC=CC=C4)C(=O)O

Isomeric SMILES

CCC(CCCO[N+]1(C=NC(=C1C2=CC=CC=C2)C3=CC=CC=C3)C4=CC=CC=C4)C(=O)O

InChI

InChI=1S/C28H28N2O3/c1-2-22(28(31)32)17-12-20-33-30(25-18-10-5-11-19-25)21-29-26(23-13-6-3-7-14-23)27(30)24-15-8-4-9-16-24/h3-11,13-16,18-19,21-22H,2,12,17,20H2,1H3/p+1