1,2-dimethyl-5-oxidanyl-1-(1-oxidanyl-1-oxidanylidene-propan-2-yl)indol-1-ium-3-carboxylic acid

Systemtic Name: 1,2-dimethyl-5-oxidanyl-1-(1-oxidanyl-1-oxidanylidene-propan-2-yl)indol-1-ium-3-carboxylic acid Openeye Name: 5-hydroxy-1-(2-hydroxy-1-methyl-2-oxo-ethyl)-1,2-dimethyl-indol-1-ium-3-carboxylic acid CAS Name: 5-hydroxy-1-(1-hydroxy-1-oxopropan-2-yl)-1,2-dimethyl-3-indol-1-iumcarboxylic acid IUPAC Name: 5-hydroxy-1-(1-hydroxy-1-oxopropan-2-yl)-1,2-dimethylindol-1-ium-3-carboxylic acid Traditional Name: 5-hydroxy-1-(2-hydroxy-2-keto-1-methyl-ethyl)-1,2-dimethyl-indol-1-ium-3-carboxylic acid Formula: C14H16NO5+ MolecularWeight: 278.28054

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H15NO5/c1-7-12(14(19)20)10-6-9(16)4-5-11(10)15(7,3)8(2)13(17)18/h4-6,8H,1-3H3,(H2-,16,17,18,19,20)/p+1