3-[[bis(prop-2-enyl)azaniumyl]methyl]benzoate

Systemtic Name: 3-[[bis(prop-2-enyl)azaniumyl]methyl]benzoate Openeye Name: 3-[(diallylammonio)methyl]benzoate CAS Name: 3-[[bis(prop-2-enyl)ammonio]methyl]benzoate IUPAC Name: 3-[[bis(prop-2-enyl)azaniumyl]methyl]benzoate Traditional Name: 3-[(diallylammonio)methyl]benzoate Formula: C14H17NO2 MolecularWeight: 231.29028

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Descriptors Computed from Structure

Canonical SMILES:

C=CC[NH+](CC=C)CC1=CC=CC(=C1)C(=O)[O-]

Isomeric SMILES

C=CC[NH+](CC=C)CC1=CC=CC(=C1)C(=O)[O-]

InChI

InChI=1S/C14H17NO2/c1-3-8-15(9-4-2)11-12-6-5-7-13(10-12)14(16)17/h3-7,10H,1-2,8-9,11H2,(H,16,17)