2-[[butyl(ethyl)azaniumyl]methyl]benzoate

Systemtic Name: 2-[[butyl(ethyl)azaniumyl]methyl]benzoate Openeye Name: 2-[[butyl(ethyl)ammonio]methyl]benzoate CAS Name: 2-[[butyl(ethyl)ammonio]methyl]benzoate IUPAC Name: 2-[[butyl(ethyl)azaniumyl]methyl]benzoate Traditional Name: 2-[[butyl(ethyl)ammonio]methyl]benzoate Formula: C14H21NO2 MolecularWeight: 235.32204

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Descriptors Computed from Structure

Canonical SMILES:

CCCC[NH+](CC)CC1=CC=CC=C1C(=O)[O-]

Isomeric SMILES

CCCC[NH+](CC)CC1=CC=CC=C1C(=O)[O-]

InChI

InChI=1S/C14H21NO2/c1-3-5-10-15(4-2)11-12-8-6-7-9-13(12)14(16)17/h6-9H,3-5,10-11H2,1-2H3,(H,16,17)