[3-[2-carboxyethyl-(phenylmethyl)amino]-3-oxidanylidene-propyl]-methyl-azanium; 2,2,2-tris(fluoranyl)ethanoate

Systemtic Name: [3-[2-carboxyethyl-(phenylmethyl)amino]-3-oxidanylidene-propyl]-methyl-azanium; 2,2,2-tris(fluoranyl)ethanoate Openeye Name: [3-[benzyl(2-carboxyethyl)amino]-3-oxo-propyl]-methyl-ammonium; 2,2,2-trifluoroacetate CAS Name: [3-[2-carboxyethyl-(phenylmethyl)amino]-3-oxopropyl]-methylammonium; 2,2,2-trifluoroacetate IUPAC Name: [3-[benzyl(2-carboxyethyl)amino]-3-oxopropyl]-methylazanium; 2,2,2-trifluoroacetate Traditional Name: [3-[benzyl(2-carboxyethyl)amino]-3-keto-propyl]-methyl-ammonium; 2,2,2-trifluoroacetate Formula: C16H21F3N2O5 MolecularWeight: 378.34355

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Descriptors Computed from Structure

Canonical SMILES:

C[NH2+]CCC(=O)N(CCC(=O)O)CC1=CC=CC=C1.C(=O)(C(F)(F)F)[O-]

Isomeric SMILES

C[NH2+]CCC(=O)N(CCC(=O)O)CC1=CC=CC=C1.C(=O)(C(F)(F)F)[O-]

InChI

InChI=1S/C14H20N2O3.C2HF3O2/c1-15-9-7-13(17)16(10-8-14(18)19)11-12-5-3-2-4-6-12;3-2(4,5)1(6)7/h2-6,15H,7-11H2,1H3,(H,18,19);(H,6,7)