2-carboxyethyl(dimethyl)azanium; 4-(4-fluoranylphenoxy)benzaldehyde; chloride

Systemtic Name: 2-carboxyethyl(dimethyl)azanium; 4-(4-fluoranylphenoxy)benzaldehyde; chloride Openeye Name: 2-carboxyethyl(dimethyl)ammonium; 4-(4-fluorophenoxy)benzaldehyde; chloride CAS Name: 2-carboxyethyl(dimethyl)ammonium; 4-(4-fluorophenoxy)benzaldehyde; chloride IUPAC Name: 2-carboxyethyl(dimethyl)azanium; 4-(4-fluorophenoxy)benzaldehyde; chloride Traditional Name: 2-carboxyethyl(dimethyl)ammonium; 4-(4-fluorophenoxy)benzaldehyde; chloride Formula: C18H21ClFNO4 MolecularWeight: 369.815043

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](C)CCC(=O)O.C1=CC(=CC=C1C=O)OC2=CC=C(C=C2)F.[Cl-]

Isomeric SMILES

C[NH+](C)CCC(=O)O.C1=CC(=CC=C1C=O)OC2=CC=C(C=C2)F.[Cl-]

InChI

InChI=1S/C13H9FO2.C5H11NO2.ClH/c14-11-3-7-13(8-4-11)16-12-5-1-10(9-15)2-6-12;1-6(2)4-3-5(7)8;/h1-9H;3-4H2,1-2H3,(H,7,8);1H