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

Systemtic Name: 1-ethyl-2-methyl-1-(2-methyl-1-oxidanyl-1-oxidanylidene-propan-2-yl)-5-oxidanyl-indol-1-ium-3-carboxylic acid Openeye Name: 1-ethyl-5-hydroxy-1-(2-hydroxy-1,1-dimethyl-2-oxo-ethyl)-2-methyl-indol-1-ium-3-carboxylic acid CAS Name: 1-ethyl-5-hydroxy-1-(1-hydroxy-2-methyl-1-oxopropan-2-yl)-2-methyl-3-indol-1-iumcarboxylic acid IUPAC Name: 1-ethyl-5-hydroxy-1-(1-hydroxy-2-methyl-1-oxopropan-2-yl)-2-methylindol-1-ium-3-carboxylic acid Traditional Name: 1-ethyl-5-hydroxy-1-(2-hydroxy-2-keto-1,1-dimethyl-ethyl)-2-methyl-indol-1-ium-3-carboxylic acid Formula: C16H20NO5+ MolecularWeight: 306.3337

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Descriptors Computed from Structure

Canonical SMILES:

CC[N+]1(C(=C(C2=C1C=CC(=C2)O)C(=O)O)C)C(C)(C)C(=O)O

Isomeric SMILES

CC[N+]1(C(=C(C2=C1C=CC(=C2)O)C(=O)O)C)C(C)(C)C(=O)O

InChI

InChI=1S/C16H19NO5/c1-5-17(16(3,4)15(21)22)9(2)13(14(19)20)11-8-10(18)6-7-12(11)17/h6-8H,5H2,1-4H3,(H2-,18,19,20,21,22)/p+1