3-(2-methyl-3-oxidanylidene-5-phenyl-1H-imidazol-3-ium-2-yl)propanoic acid

Systemtic Name: 3-(2-methyl-3-oxidanylidene-5-phenyl-1H-imidazol-3-ium-2-yl)propanoic acid Openeye Name: 3-(2-methyl-3-oxo-5-phenyl-1H-imidazol-3-ium-2-yl)propanoic acid CAS Name: 3-(2-methyl-3-oxo-5-phenyl-1H-imidazol-3-ium-2-yl)propanoic acid IUPAC Name: 3-(2-methyl-3-oxo-5-phenyl-1H-imidazol-3-ium-2-yl)propanoic acid Traditional Name: 3-(1-keto-2-methyl-4-phenyl-4-imidazolin-1-ium-2-yl)propionic acid Formula: C13H15N2O3+ MolecularWeight: 247.2698

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CC1(NC(=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-,14,16,17,18)/p+1