3-(2-phenyl-1H-imidazol-3-ium-3-yl)propanoate

Systemtic Name: 3-(2-phenyl-1H-imidazol-3-ium-3-yl)propanoate Openeye Name: 3-(2-phenyl-1H-imidazol-3-ium-3-yl)propanoate CAS Name: 3-(2-phenyl-1H-imidazol-3-ium-3-yl)propanoate IUPAC Name: 3-(2-phenyl-1H-imidazol-3-ium-3-yl)propanoate Traditional Name: 3-(2-phenyl-1H-imidazol-3-ium-3-yl)propionate Formula: C12H12N2O2 MolecularWeight: 216.23588

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=[N+](C=CN2)CCC(=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)C2=[N+](C=CN2)CCC(=O)[O-]

InChI

InChI=1S/C12H12N2O2/c15-11(16)6-8-14-9-7-13-12(14)10-4-2-1-3-5-10/h1-5,7,9H,6,8H2,(H,15,16)