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

Systemtic Name: 1-(2,2-dimethylpropyl)-2-methyl-1-(2-methyl-1-oxidanyl-1-oxidanylidene-propan-2-yl)-5-oxidanyl-indol-1-ium-3-carboxylic acid Openeye Name: 1-(2,2-dimethylpropyl)-5-hydroxy-1-(2-hydroxy-1,1-dimethyl-2-oxo-ethyl)-2-methyl-indol-1-ium-3-carboxylic acid CAS Name: 1-(2,2-dimethylpropyl)-5-hydroxy-1-(1-hydroxy-2-methyl-1-oxopropan-2-yl)-2-methyl-3-indol-1-iumcarboxylic acid IUPAC Name: 1-(2,2-dimethylpropyl)-5-hydroxy-1-(1-hydroxy-2-methyl-1-oxopropan-2-yl)-2-methylindol-1-ium-3-carboxylic acid Traditional Name: 5-hydroxy-1-(2-hydroxy-2-keto-1,1-dimethyl-ethyl)-2-methyl-1-neopentyl-indol-1-ium-3-carboxylic acid Formula: C19H26NO5+ MolecularWeight: 348.41344

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H25NO5/c1-11-15(16(22)23)13-9-12(21)7-8-14(13)20(11,10-18(2,3)4)19(5,6)17(24)25/h7-9H,10H2,1-6H3,(H2-,21,22,23,24,25)/p+1