3-[3-[tert-butyl(ethyl)azaniumyl]propoxy]benzoate

Systemtic Name: 3-[3-[tert-butyl(ethyl)azaniumyl]propoxy]benzoate Openeye Name: 3-[3-[tert-butyl(ethyl)ammonio]propoxy]benzoate CAS Name: 3-[3-[tert-butyl(ethyl)ammonio]propoxy]benzoate IUPAC Name: 3-[3-[tert-butyl(ethyl)azaniumyl]propoxy]benzoate Traditional Name: 3-[3-[tert-butyl(ethyl)ammonio]propoxy]benzoate Formula: C16H25NO3 MolecularWeight: 279.3746

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC[NH+](CCCOC1=CC=CC(=C1)C(=O)[O-])C(C)(C)C

Isomeric SMILES

CC[NH+](CCCOC1=CC=CC(=C1)C(=O)[O-])C(C)(C)C

InChI

InChI=1S/C16H25NO3/c1-5-17(16(2,3)4)10-7-11-20-14-9-6-8-13(12-14)15(18)19/h6,8-9,12H,5,7,10-11H2,1-4H3,(H,18,19)