2-[(2-methylphenyl)methyl-propyl-azaniumyl]ethanoate

Systemtic Name: 2-[(2-methylphenyl)methyl-propyl-azaniumyl]ethanoate Openeye Name: 2-[o-tolylmethyl(propyl)ammonio]acetate CAS Name: 2-[(2-methylphenyl)methyl-propylammonio]acetate IUPAC Name: 2-[(2-methylphenyl)methyl-propylazaniumyl]acetate Traditional Name: 2-[(2-methylbenzyl)-propyl-ammonio]acetate Formula: C13H19NO2 MolecularWeight: 221.29546

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Descriptors Computed from Structure

Canonical SMILES:

CCC[NH+](CC1=CC=CC=C1C)CC(=O)[O-]

Isomeric SMILES

CCC[NH+](CC1=CC=CC=C1C)CC(=O)[O-]

InChI

InChI=1S/C13H19NO2/c1-3-8-14(10-13(15)16)9-12-7-5-4-6-11(12)2/h4-7H,3,8-10H2,1-2H3,(H,15,16)