5-[ethyl-(phenylmethyl)azaniumyl]pentanoate

Systemtic Name: 5-[ethyl-(phenylmethyl)azaniumyl]pentanoate Openeye Name: 5-[benzyl(ethyl)ammonio]pentanoate CAS Name: 5-[ethyl-(phenylmethyl)ammonio]pentanoate IUPAC Name: 5-[benzyl(ethyl)azaniumyl]pentanoate Traditional Name: 5-[benzyl(ethyl)ammonio]valerate Formula: C14H21NO2 MolecularWeight: 235.32204

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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