prop-2-yn-1-amine benzoate

Systemtic Name: prop-2-yn-1-amine benzoate Openeye Name: prop-2-yn-1-amine benzoate CAS Name: 2-propyn-1-amine benzoate IUPAC Name: prop-2-yn-1-amine benzoate Traditional Name: propargylamine benzoate Formula: C10H10NO2- MolecularWeight: 176.1919

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C7H6O2.C3H5N/c8-7(9)6-4-2-1-3-5-6;1-2-3-4/h1-5H,(H,8,9);1H,3-4H2/p-1