1-[1-(3-hydroxyphenyl)-2-oxidanyl-2-oxidanylidene-ethyl]-2-methyl-1-(2-methylpropyl)indol-1-ium-3-carboxylic acid

Systemtic Name: 1-[1-(3-hydroxyphenyl)-2-oxidanyl-2-oxidanylidene-ethyl]-2-methyl-1-(2-methylpropyl)indol-1-ium-3-carboxylic acid Openeye Name: 1-[2-hydroxy-1-(3-hydroxyphenyl)-2-oxo-ethyl]-1-isobutyl-2-methyl-indol-1-ium-3-carboxylic acid CAS Name: 1-[2-hydroxy-1-(3-hydroxyphenyl)-2-oxoethyl]-2-methyl-1-(2-methylpropyl)-3-indol-1-iumcarboxylic acid IUPAC Name: 1-[2-hydroxy-1-(3-hydroxyphenyl)-2-oxoethyl]-2-methyl-1-(2-methylpropyl)indol-1-ium-3-carboxylic acid Traditional Name: 1-[2-hydroxy-1-(3-hydroxyphenyl)-2-keto-ethyl]-1-isobutyl-2-methyl-indol-1-ium-3-carboxylic acid Formula: C22H24NO5+ MolecularWeight: 382.42966

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=CC=CC=C2[N+]1(CC(C)C)C(C3=CC(=CC=C3)O)C(=O)O)C(=O)O

Isomeric SMILES

CC1=C(C2=CC=CC=C2[N+]1(CC(C)C)C(C3=CC(=CC=C3)O)C(=O)O)C(=O)O

InChI

InChI=1S/C22H23NO5/c1-13(2)12-23(20(22(27)28)15-7-6-8-16(24)11-15)14(3)19(21(25)26)17-9-4-5-10-18(17)23/h4-11,13,20H,12H2,1-3H3,(H2-,24,25,26,27,28)/p+1