2-[3-[methyl-(phenylmethyl)azaniumyl]propanoylamino]ethanoate

Systemtic Name: 2-[3-[methyl-(phenylmethyl)azaniumyl]propanoylamino]ethanoate Openeye Name: 2-[3-[benzyl(methyl)ammonio]propanoylamino]acetate CAS Name: 2-[[3-[methyl-(phenylmethyl)ammonio]-1-oxopropyl]amino]acetate IUPAC Name: 2-[3-[benzyl(methyl)azaniumyl]propanoylamino]acetate Traditional Name: 2-[3-[benzyl(methyl)ammonio]propanoylamino]acetate Formula: C13H18N2O3 MolecularWeight: 250.29362

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](CCC(=O)NCC(=O)[O-])CC1=CC=CC=C1

Isomeric SMILES

C[NH+](CCC(=O)NCC(=O)[O-])CC1=CC=CC=C1

InChI

InChI=1S/C13H18N2O3/c1-15(10-11-5-3-2-4-6-11)8-7-12(16)14-9-13(17)18/h2-6H,7-10H2,1H3,(H,14,16)(H,17,18)