4-[2-(diethylazaniumyl)ethanoylamino]benzoate

Systemtic Name: 4-[2-(diethylazaniumyl)ethanoylamino]benzoate Openeye Name: 4-[[2-(diethylammonio)acetyl]amino]benzoate CAS Name: 4-[[2-(diethylammonio)-1-oxoethyl]amino]benzoate IUPAC Name: 4-[[2-(diethylazaniumyl)acetyl]amino]benzoate Traditional Name: 4-[[2-(diethylammonio)acetyl]amino]benzoate Formula: C13H18N2O3 MolecularWeight: 250.29362

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+](CC)CC(=O)NC1=CC=C(C=C1)C(=O)[O-]

Isomeric SMILES

CC[NH+](CC)CC(=O)NC1=CC=C(C=C1)C(=O)[O-]

InChI

InChI=1S/C13H18N2O3/c1-3-15(4-2)9-12(16)14-11-7-5-10(6-8-11)13(17)18/h5-8H,3-4,9H2,1-2H3,(H,14,16)(H,17,18)