(2S)-2-[bis(2-methoxyethyl)azaniumyl]-2-phenyl-ethanoate

Systemtic Name: (2S)-2-[bis(2-methoxyethyl)azaniumyl]-2-phenyl-ethanoate Openeye Name: (2S)-2-[bis(2-methoxyethyl)ammonio]-2-phenyl-acetate CAS Name: (2S)-2-[bis(2-methoxyethyl)ammonio]-2-phenylacetate IUPAC Name: (2S)-2-[bis(2-methoxyethyl)azaniumyl]-2-phenylacetate Traditional Name: (2S)-2-[bis(2-methoxyethyl)ammonio]-2-phenyl-acetate Formula: C14H21NO4 MolecularWeight: 267.32084

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Descriptors Computed from Structure

Canonical SMILES:

COCC[NH+](CCOC)C(C1=CC=CC=C1)C(=O)[O-]

Isomeric SMILES

COCC[NH+](CCOC)[C@@H](C1=CC=CC=C1)C(=O)[O-]

InChI

InChI=1S/C14H21NO4/c1-18-10-8-15(9-11-19-2)13(14(16)17)12-6-4-3-5-7-12/h3-7,13H,8-11H2,1-2H3,(H,16,17)/t13-/m0/s1