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

Systemtic Name: 1,2-dimethyl-1-(2-methyl-1-oxidanyl-1-oxidanylidene-propan-2-yl)-5-oxidanyl-indol-1-ium-3-carboxylic acid Openeye Name: 5-hydroxy-1-(2-hydroxy-1,1-dimethyl-2-oxo-ethyl)-1,2-dimethyl-indol-1-ium-3-carboxylic acid CAS Name: 5-hydroxy-1-(1-hydroxy-2-methyl-1-oxopropan-2-yl)-1,2-dimethyl-3-indol-1-iumcarboxylic acid IUPAC Name: 5-hydroxy-1-(1-hydroxy-2-methyl-1-oxopropan-2-yl)-1,2-dimethylindol-1-ium-3-carboxylic acid Traditional Name: 5-hydroxy-1-(2-hydroxy-2-keto-1,1-dimethyl-ethyl)-1,2-dimethyl-indol-1-ium-3-carboxylic acid Formula: C15H18NO5+ MolecularWeight: 292.30712

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Descriptors Computed from Structure

Canonical SMILES:

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

InChI

InChI=1S/C15H17NO5/c1-8-12(13(18)19)10-7-9(17)5-6-11(10)16(8,4)15(2,3)14(20)21/h5-7H,1-4H3,(H2-,17,18,19,20,21)/p+1