[2-(2-carboxyethyl)-3-(trifluoromethyl)phenyl]-methoxy-(phenylcarbonyl)-propyl-azanium

Systemtic Name: [2-(2-carboxyethyl)-3-(trifluoromethyl)phenyl]-methoxy-(phenylcarbonyl)-propyl-azanium Openeye Name: benzoyl-[2-(2-carboxyethyl)-3-(trifluoromethyl)phenyl]-methoxy-propyl-ammonium CAS Name: benzoyl-[2-(2-carboxyethyl)-3-(trifluoromethyl)phenyl]-methoxy-propylammonium IUPAC Name: benzoyl-[2-(2-carboxyethyl)-3-(trifluoromethyl)phenyl]-methoxy-propylazanium Traditional Name: benzoyl-[2-(2-carboxyethyl)-3-(trifluoromethyl)phenyl]-methoxy-propyl-ammonium Formula: C21H23F3NO4+ MolecularWeight: 410.40683

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Descriptors Computed from Structure

Canonical SMILES:

CCC[N+](C1=CC=CC(=C1CCC(=O)O)C(F)(F)F)(C(=O)C2=CC=CC=C2)OC

Isomeric SMILES

CCC[N+](C1=CC=CC(=C1CCC(=O)O)C(F)(F)F)(C(=O)C2=CC=CC=C2)OC

InChI

InChI=1S/C21H22F3NO4/c1-3-14-25(29-2,20(28)15-8-5-4-6-9-15)18-11-7-10-17(21(22,23)24)16(18)12-13-19(26)27/h4-11H,3,12-14H2,1-2H3/p+1