4-[3-[tert-butyl(ethyl)azaniumyl]propoxy]benzoate

Systemtic Name: 4-[3-[tert-butyl(ethyl)azaniumyl]propoxy]benzoate Openeye Name: 4-[3-[tert-butyl(ethyl)ammonio]propoxy]benzoate CAS Name: 4-[3-[tert-butyl(ethyl)ammonio]propoxy]benzoate IUPAC Name: 4-[3-[tert-butyl(ethyl)azaniumyl]propoxy]benzoate Traditional Name: 4-[3-[tert-butyl(ethyl)ammonio]propoxy]benzoate Formula: C16H25NO3 MolecularWeight: 279.3746

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H25NO3/c1-5-17(16(2,3)4)11-6-12-20-14-9-7-13(8-10-14)15(18)19/h7-10H,5-6,11-12H2,1-4H3,(H,18,19)