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

Systemtic Name: 2-methyl-1-(2-methyl-1-oxidanyl-1-oxidanylidene-propan-2-yl)-5-oxidanyl-1-propan-2-yl-indol-1-ium-3-carboxylic acid Openeye Name: 5-hydroxy-1-(2-hydroxy-1,1-dimethyl-2-oxo-ethyl)-1-isopropyl-2-methyl-indol-1-ium-3-carboxylic acid CAS Name: 5-hydroxy-1-(1-hydroxy-2-methyl-1-oxopropan-2-yl)-2-methyl-1-propan-2-yl-3-indol-1-iumcarboxylic acid IUPAC Name: 5-hydroxy-1-(1-hydroxy-2-methyl-1-oxopropan-2-yl)-2-methyl-1-propan-2-ylindol-1-ium-3-carboxylic acid Traditional Name: 5-hydroxy-1-(2-hydroxy-2-keto-1,1-dimethyl-ethyl)-1-isopropyl-2-methyl-indol-1-ium-3-carboxylic acid Formula: C17H22NO5+ MolecularWeight: 320.36028

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Descriptors Computed from Structure

Canonical SMILES:

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

InChI

InChI=1S/C17H21NO5/c1-9(2)18(17(4,5)16(22)23)10(3)14(15(20)21)12-8-11(19)6-7-13(12)18/h6-9H,1-5H3,(H2-,19,20,21,22,23)/p+1