4-[(prop-2-enylazaniumyl)methyl]benzoate

Systemtic Name: 4-[(prop-2-enylazaniumyl)methyl]benzoate Openeye Name: 4-[(allylammonio)methyl]benzoate CAS Name: 4-[(prop-2-enylammonio)methyl]benzoate IUPAC Name: 4-[(prop-2-enylazaniumyl)methyl]benzoate Traditional Name: 4-[(allylammonio)methyl]benzoate Formula: C11H13NO2 MolecularWeight: 191.22642

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C=CC[NH2+]CC1=CC=C(C=C1)C(=O)[O-]

Isomeric SMILES

C=CC[NH2+]CC1=CC=C(C=C1)C(=O)[O-]

InChI

InChI=1S/C11H13NO2/c1-2-7-12-8-9-3-5-10(6-4-9)11(13)14/h2-6,12H,1,7-8H2,(H,13,14)