2-[(4-ethylphenyl)methyl-(2-methoxyethyl)azaniumyl]ethanoate

Systemtic Name: 2-[(4-ethylphenyl)methyl-(2-methoxyethyl)azaniumyl]ethanoate Openeye Name: 2-[(4-ethylphenyl)methyl-(2-methoxyethyl)ammonio]acetate CAS Name: 2-[(4-ethylphenyl)methyl-(2-methoxyethyl)ammonio]acetate IUPAC Name: 2-[(4-ethylphenyl)methyl-(2-methoxyethyl)azaniumyl]acetate Traditional Name: 2-[(4-ethylbenzyl)-(2-methoxyethyl)ammonio]acetate Formula: C14H21NO3 MolecularWeight: 251.32144

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)C[NH+](CCOC)CC(=O)[O-]

Isomeric SMILES

CCC1=CC=C(C=C1)C[NH+](CCOC)CC(=O)[O-]

InChI

InChI=1S/C14H21NO3/c1-3-12-4-6-13(7-5-12)10-15(8-9-18-2)11-14(16)17/h4-7H,3,8-11H2,1-2H3,(H,16,17)