3-[3-(diethylazaniumyl)propoxy]benzoate

Systemtic Name: 3-[3-(diethylazaniumyl)propoxy]benzoate Openeye Name: 3-[3-(diethylammonio)propoxy]benzoate CAS Name: 3-[3-(diethylammonio)propoxy]benzoate IUPAC Name: 3-[3-(diethylazaniumyl)propoxy]benzoate Traditional Name: 3-[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(=C1)C(=O)[O-]

Isomeric SMILES

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

InChI

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