3-(2-methyl-1-oxidanidyl-4-phenyl-imidazol-1-ium-2-yl)propanoic acid

Systemtic Name: 3-(2-methyl-1-oxidanidyl-4-phenyl-imidazol-1-ium-2-yl)propanoic acid Openeye Name: 3-(2-methyl-1-oxido-4-phenyl-imidazol-1-ium-2-yl)propanoic acid CAS Name: 3-(2-methyl-1-oxido-4-phenyl-2-imidazol-1-iumyl)propanoic acid IUPAC Name: 3-(2-methyl-1-oxido-4-phenylimidazol-1-ium-2-yl)propanoic acid Traditional Name: 3-(2-methyl-1-oxido-4-phenyl-imidazol-1-ium-2-yl)propionic acid Formula: C13H14N2O3 MolecularWeight: 246.26186

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Descriptors Computed from Structure

Canonical SMILES:

CC1(N=C(C=[N+]1[O-])C2=CC=CC=C2)CCC(=O)O

Isomeric SMILES

CC1(N=C(C=[N+]1[O-])C2=CC=CC=C2)CCC(=O)O

InChI

InChI=1S/C13H14N2O3/c1-13(8-7-12(16)17)14-11(9-15(13)18)10-5-3-2-4-6-10/h2-6,9H,7-8H2,1H3,(H,16,17)