2-[(phenylmethyl)-propyl-azaniumyl]ethanoate

Systemtic Name: 2-[(phenylmethyl)-propyl-azaniumyl]ethanoate Openeye Name: 2-[benzyl(propyl)ammonio]acetate CAS Name: 2-[(phenylmethyl)-propylammonio]acetate IUPAC Name: 2-[benzyl(propyl)azaniumyl]acetate Traditional Name: 2-[benzyl(propyl)ammonio]acetate Formula: C12H17NO2 MolecularWeight: 207.26888

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H17NO2/c1-2-8-13(10-12(14)15)9-11-6-4-3-5-7-11/h3-7H,2,8-10H2,1H3,(H,14,15)