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

Systemtic Name: 1-[2-(3-chloranyl-5-oxidanyl-phenyl)-1-oxidanyl-1-oxidanylidene-propan-2-yl]-2-methyl-1-(2-methylpropyl)indol-1-ium-3-carboxylic acid Openeye Name: 1-[1-(3-chloro-5-hydroxy-phenyl)-2-hydroxy-1-methyl-2-oxo-ethyl]-1-isobutyl-2-methyl-indol-1-ium-3-carboxylic acid CAS Name: 1-[2-(3-chloro-5-hydroxyphenyl)-1-hydroxy-1-oxopropan-2-yl]-2-methyl-1-(2-methylpropyl)-3-indol-1-iumcarboxylic acid IUPAC Name: 1-[2-(3-chloro-5-hydroxyphenyl)-1-hydroxy-1-oxopropan-2-yl]-2-methyl-1-(2-methylpropyl)indol-1-ium-3-carboxylic acid Traditional Name: 1-[1-(3-chloro-5-hydroxy-phenyl)-2-hydroxy-2-keto-1-methyl-ethyl]-1-isobutyl-2-methyl-indol-1-ium-3-carboxylic acid Formula: C23H25ClNO5+ MolecularWeight: 430.9013

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H24ClNO5/c1-13(2)12-25(14(3)20(21(27)28)18-7-5-6-8-19(18)25)23(4,22(29)30)15-9-16(24)11-17(26)10-15/h5-11,13H,12H2,1-4H3,(H2-,26,27,28,29,30)/p+1