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

Systemtic Name: 2-methyl-1-(3-methylbutyl)-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-isopentyl-2-methyl-indol-1-ium-3-carboxylic acid CAS Name: 5-hydroxy-1-(1-hydroxy-2-methyl-1-oxopropan-2-yl)-2-methyl-1-(3-methylbutyl)-3-indol-1-iumcarboxylic acid IUPAC Name: 5-hydroxy-1-(1-hydroxy-2-methyl-1-oxopropan-2-yl)-2-methyl-1-(3-methylbutyl)indol-1-ium-3-carboxylic acid Traditional Name: 5-hydroxy-1-(2-hydroxy-2-keto-1,1-dimethyl-ethyl)-1-isoamyl-2-methyl-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(CCC(C)C)C(C)(C)C(=O)O)C=CC(=C2)O)C(=O)O

Isomeric SMILES

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

InChI

InChI=1S/C19H25NO5/c1-11(2)8-9-20(19(4,5)18(24)25)12(3)16(17(22)23)14-10-13(21)6-7-15(14)20/h6-7,10-11H,8-9H2,1-5H3,(H2-,21,22,23,24,25)/p+1