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

Systemtic Name: 2-methyl-1-(2-methylpropyl)-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-isobutyl-2-methyl-indol-1-ium-3-carboxylic acid CAS Name: 5-hydroxy-1-(1-hydroxy-1-oxopropan-2-yl)-2-methyl-1-(2-methylpropyl)-3-indol-1-iumcarboxylic acid IUPAC Name: 5-hydroxy-1-(1-hydroxy-1-oxopropan-2-yl)-2-methyl-1-(2-methylpropyl)indol-1-ium-3-carboxylic acid Traditional Name: 5-hydroxy-1-(2-hydroxy-2-keto-1-methyl-ethyl)-1-isobutyl-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(CC(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(=O)O)C=CC(=C2)O)C(=O)O

InChI

InChI=1S/C17H21NO5/c1-9(2)8-18(11(4)16(20)21)10(3)15(17(22)23)13-7-12(19)5-6-14(13)18/h5-7,9,11H,8H2,1-4H3,(H2-,19,20,21,22,23)/p+1