5-[(phenylmethyl)-propan-2-yl-azaniumyl]pentanoate

Systemtic Name: 5-[(phenylmethyl)-propan-2-yl-azaniumyl]pentanoate Openeye Name: 5-[benzyl(isopropyl)ammonio]pentanoate CAS Name: 5-[(phenylmethyl)-propan-2-ylammonio]pentanoate IUPAC Name: 5-[benzyl(propan-2-yl)azaniumyl]pentanoate Traditional Name: 5-[benzyl(isopropyl)ammonio]valerate Formula: C15H23NO2 MolecularWeight: 249.34862

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H23NO2/c1-13(2)16(11-7-6-10-15(17)18)12-14-8-4-3-5-9-14/h3-5,8-9,13H,6-7,10-12H2,1-2H3,(H,17,18)