4-[(phenylmethyl)-propan-2-yl-azaniumyl]butanoate

Systemtic Name: 4-[(phenylmethyl)-propan-2-yl-azaniumyl]butanoate Openeye Name: 4-[benzyl(isopropyl)ammonio]butanoate CAS Name: 4-[(phenylmethyl)-propan-2-ylammonio]butanoate IUPAC Name: 4-[benzyl(propan-2-yl)azaniumyl]butanoate Traditional Name: 4-[benzyl(isopropyl)ammonio]butyrate Formula: C14H21NO2 MolecularWeight: 235.32204

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H21NO2/c1-12(2)15(10-6-9-14(16)17)11-13-7-4-3-5-8-13/h3-5,7-8,12H,6,9-11H2,1-2H3,(H,16,17)