3-[(phenylmethyl)-propan-2-yl-azaniumyl]propanoate

Systemtic Name: 3-[(phenylmethyl)-propan-2-yl-azaniumyl]propanoate Openeye Name: 3-[benzyl(isopropyl)ammonio]propanoate CAS Name: 3-[(phenylmethyl)-propan-2-ylammonio]propanoate IUPAC Name: 3-[benzyl(propan-2-yl)azaniumyl]propanoate Traditional Name: 3-[benzyl(isopropyl)ammonio]propionate Formula: C13H19NO2 MolecularWeight: 221.29546

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H19NO2/c1-11(2)14(9-8-13(15)16)10-12-6-4-3-5-7-12/h3-7,11H,8-10H2,1-2H3,(H,15,16)