3-[[butyl(methyl)azaniumyl]methyl]benzoate

Systemtic Name: 3-[[butyl(methyl)azaniumyl]methyl]benzoate Openeye Name: 3-[[butyl(methyl)ammonio]methyl]benzoate CAS Name: 3-[[butyl(methyl)ammonio]methyl]benzoate IUPAC Name: 3-[[butyl(methyl)azaniumyl]methyl]benzoate Traditional Name: 3-[[butyl(methyl)ammonio]methyl]benzoate Formula: C13H19NO2 MolecularWeight: 221.29546

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H19NO2/c1-3-4-8-14(2)10-11-6-5-7-12(9-11)13(15)16/h5-7,9H,3-4,8,10H2,1-2H3,(H,15,16)