2-[3-(diethylazaniumyl)propoxy]benzoate

Systemtic Name: 2-[3-(diethylazaniumyl)propoxy]benzoate Openeye Name: 2-[3-(diethylammonio)propoxy]benzoate CAS Name: 2-[3-(diethylammonio)propoxy]benzoate IUPAC Name: 2-[3-(diethylazaniumyl)propoxy]benzoate Traditional Name: 2-[3-(diethylammonio)propoxy]benzoate Formula: C14H21NO3 MolecularWeight: 251.32144

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+](CC)CCCOC1=CC=CC=C1C(=O)[O-]

Isomeric SMILES

CC[NH+](CC)CCCOC1=CC=CC=C1C(=O)[O-]

InChI

InChI=1S/C14H21NO3/c1-3-15(4-2)10-7-11-18-13-9-6-5-8-12(13)14(16)17/h5-6,8-9H,3-4,7,10-11H2,1-2H3,(H,16,17)