1-(2,5-dimethylphenyl)-2-oxidanylidene-pyrrolidin-1-ium-1-carboxylic acid

Systemtic Name: 1-(2,5-dimethylphenyl)-2-oxidanylidene-pyrrolidin-1-ium-1-carboxylic acid Openeye Name: 1-(2,5-dimethylphenyl)-2-oxo-pyrrolidin-1-ium-1-carboxylic acid CAS Name: 1-(2,5-dimethylphenyl)-2-oxo-1-pyrrolidin-1-iumcarboxylic acid IUPAC Name: 1-(2,5-dimethylphenyl)-2-oxopyrrolidin-1-ium-1-carboxylic acid Traditional Name: 1-(2,5-dimethylphenyl)-2-keto-pyrrolidin-1-ium-1-carboxylic acid Formula: C13H16NO3+ MolecularWeight: 234.27104

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)[N+]2(CCCC2=O)C(=O)O

Isomeric SMILES

CC1=CC(=C(C=C1)C)[N+]2(CCCC2=O)C(=O)O

InChI

InChI=1S/C13H15NO3/c1-9-5-6-10(2)11(8-9)14(13(16)17)7-3-4-12(14)15/h5-6,8H,3-4,7H2,1-2H3/p+1