triethylazanium benzoate

Systemtic Name: triethylazanium benzoate Openeye Name: triethylammonium benzoate CAS Name: triethylammonium benzoate IUPAC Name: triethylazanium benzoate Traditional Name: triethylammonium benzoate Formula: C13H21NO2 MolecularWeight: 223.31134

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CC[NH+](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