N,N-diethylethanamine benzoate

Systemtic Name: N,N-diethylethanamine benzoate Openeye Name: N,N-diethylethanamine benzoate CAS Name: N,N-diethylethanamine benzoate IUPAC Name: N,N-diethylethanamine benzoate Traditional Name: triethylamine benzoate Formula: C13H20NO2- MolecularWeight: 222.3034

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)CC.C1=CC=C(C=C1)C(=O)[O-]

Isomeric SMILES

CCN(CC)CC.C1=CC=C(C=C1)C(=O)[O-]

InChI

InChI=1S/C7H6O2.C6H15N/c8-7(9)6-4-2-1-3-5-6;1-4-7(5-2)6-3/h1-5H,(H,8,9);4-6H2,1-3H3/p-1