(4-azaniumyl-2-prop-2-enoyl-phenyl)azanium diethanoate

Systemtic Name: (4-azaniumyl-2-prop-2-enoyl-phenyl)azanium diethanoate Openeye Name: (4-azaniumyl-2-prop-2-enoyl-phenyl)ammonium diacetate CAS Name: [4-ammonio-2-(1-oxoprop-2-enyl)phenyl]ammonium diacetate IUPAC Name: (4-azaniumyl-2-prop-2-enoylphenyl)azanium diacetate Traditional Name: (2-acryloyl-4-ammonio-phenyl)ammonium diacetate Formula: C13H18N2O5 MolecularWeight: 282.29242

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)[O-].CC(=O)[O-].C=CC(=O)C1=C(C=CC(=C1)[NH3+])[NH3+]

Isomeric SMILES

CC(=O)[O-].CC(=O)[O-].C=CC(=O)C1=C(C=CC(=C1)[NH3+])[NH3+]

InChI

InChI=1S/C9H10N2O.2C2H4O2/c1-2-9(12)7-5-6(10)3-4-8(7)11;2*1-2(3)4/h2-5H,1,10-11H2;2*1H3,(H,3,4)