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

Systemtic Name: 2-methyl-1-(2-methyl-1-oxidanyl-1-oxidanylidene-propan-2-yl)-1-(2-methylpropyl)-5-oxidanyl-indol-1-ium-3-carboxylic acid Openeye Name: 5-hydroxy-1-(2-hydroxy-1,1-dimethyl-2-oxo-ethyl)-1-isobutyl-2-methyl-indol-1-ium-3-carboxylic acid CAS Name: 5-hydroxy-1-(1-hydroxy-2-methyl-1-oxopropan-2-yl)-2-methyl-1-(2-methylpropyl)-3-indol-1-iumcarboxylic acid IUPAC Name: 5-hydroxy-1-(1-hydroxy-2-methyl-1-oxopropan-2-yl)-2-methyl-1-(2-methylpropyl)indol-1-ium-3-carboxylic acid Traditional Name: 5-hydroxy-1-(2-hydroxy-2-keto-1,1-dimethyl-ethyl)-1-isobutyl-2-methyl-indol-1-ium-3-carboxylic acid Formula: C18H24NO5+ MolecularWeight: 334.38686

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

InChI

InChI=1S/C18H23NO5/c1-10(2)9-19(18(4,5)17(23)24)11(3)15(16(21)22)13-8-12(20)6-7-14(13)19/h6-8,10H,9H2,1-5H3,(H2-,20,21,22,23,24)/p+1