2-[(phenylmethyl)-(thiophen-2-ylmethyl)azaniumyl]ethanoate

Systemtic Name: 2-[(phenylmethyl)-(thiophen-2-ylmethyl)azaniumyl]ethanoate Openeye Name: 2-[benzyl(2-thienylmethyl)ammonio]acetate CAS Name: 2-[(phenylmethyl)-(thiophen-2-ylmethyl)ammonio]acetate IUPAC Name: 2-[benzyl(thiophen-2-ylmethyl)azaniumyl]acetate Traditional Name: 2-[benzyl(2-thenyl)ammonio]acetate Formula: C14H15NO2S MolecularWeight: 261.3394

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C[NH+](CC2=CC=CS2)CC(=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)C[NH+](CC2=CC=CS2)CC(=O)[O-]

InChI

InChI=1S/C14H15NO2S/c16-14(17)11-15(10-13-7-4-8-18-13)9-12-5-2-1-3-6-12/h1-8H,9-11H2,(H,16,17)