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

Systemtic Name: 1-[2-(2-chloranyl-5-oxidanyl-phenyl)-1-oxidanyl-1-oxidanylidene-propan-2-yl]-2-methyl-1-propan-2-yl-indol-1-ium-3-carboxylic acid Openeye Name: 1-[1-(2-chloro-5-hydroxy-phenyl)-2-hydroxy-1-methyl-2-oxo-ethyl]-1-isopropyl-2-methyl-indol-1-ium-3-carboxylic acid CAS Name: 1-[2-(2-chloro-5-hydroxyphenyl)-1-hydroxy-1-oxopropan-2-yl]-2-methyl-1-propan-2-yl-3-indol-1-iumcarboxylic acid IUPAC Name: 1-[2-(2-chloro-5-hydroxyphenyl)-1-hydroxy-1-oxopropan-2-yl]-2-methyl-1-propan-2-ylindol-1-ium-3-carboxylic acid Traditional Name: 1-[1-(2-chloro-5-hydroxy-phenyl)-2-hydroxy-2-keto-1-methyl-ethyl]-1-isopropyl-2-methyl-indol-1-ium-3-carboxylic acid Formula: C22H23ClNO5+ MolecularWeight: 416.87472

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H22ClNO5/c1-12(2)24(13(3)19(20(26)27)15-7-5-6-8-18(15)24)22(4,21(28)29)16-11-14(25)9-10-17(16)23/h5-12H,1-4H3,(H2-,25,26,27,28,29)/p+1