4-[ethyl-(phenylmethyl)azaniumyl]butanoate

Systemtic Name: 4-[ethyl-(phenylmethyl)azaniumyl]butanoate Openeye Name: 4-[benzyl(ethyl)ammonio]butanoate CAS Name: 4-[ethyl-(phenylmethyl)ammonio]butanoate IUPAC Name: 4-[benzyl(ethyl)azaniumyl]butanoate Traditional Name: 4-[benzyl(ethyl)ammonio]butyrate Formula: C13H19NO2 MolecularWeight: 221.29546

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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