4-[3-(diethylazaniumyl)propoxy]benzoate

Systemtic Name: 4-[3-(diethylazaniumyl)propoxy]benzoate Openeye Name: 4-[3-(diethylammonio)propoxy]benzoate CAS Name: 4-[3-(diethylammonio)propoxy]benzoate IUPAC Name: 4-[3-(diethylazaniumyl)propoxy]benzoate Traditional Name: 4-[3-(diethylammonio)propoxy]benzoate Formula: C14H21NO3 MolecularWeight: 251.32144

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H21NO3/c1-3-15(4-2)10-5-11-18-13-8-6-12(7-9-13)14(16)17/h6-9H,3-5,10-11H2,1-2H3,(H,16,17)