carboxy-(2-ethoxy-2-oxidanylidene-ethanoyl)-[2-[4-(4-fluoranylphenoxy)phenoxy]ethyl]-propyl-azanium

Systemtic Name: carboxy-(2-ethoxy-2-oxidanylidene-ethanoyl)-[2-[4-(4-fluoranylphenoxy)phenoxy]ethyl]-propyl-azanium Openeye Name: carboxy-(2-ethoxy-2-oxo-acetyl)-[2-[4-(4-fluorophenoxy)phenoxy]ethyl]-propyl-ammonium CAS Name: carboxy-(2-ethoxy-1,2-dioxoethyl)-[2-[4-(4-fluorophenoxy)phenoxy]ethyl]-propylammonium IUPAC Name: carboxy-(2-ethoxy-2-oxoacetyl)-[2-[4-(4-fluorophenoxy)phenoxy]ethyl]-propylazanium Traditional Name: carboxy-ethoxalyl-[2-[4-(4-fluorophenoxy)phenoxy]ethyl]-propyl-ammonium Formula: C22H25FNO7+ MolecularWeight: 434.434803

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC[N+](CCOC1=CC=C(C=C1)OC2=CC=C(C=C2)F)(C(=O)C(=O)OCC)C(=O)O

Isomeric SMILES

CCC[N+](CCOC1=CC=C(C=C1)OC2=CC=C(C=C2)F)(C(=O)C(=O)OCC)C(=O)O

InChI

InChI=1S/C22H24FNO7/c1-3-13-24(22(27)28,20(25)21(26)29-4-2)14-15-30-17-9-11-19(12-10-17)31-18-7-5-16(23)6-8-18/h5-12H,3-4,13-15H2,1-2H3/p+1