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

Systemtic Name: 1-[2-(3-chloranyl-5-oxidanyl-phenyl)-1-oxidanyl-1-oxidanylidene-propan-2-yl]-1,2-dimethyl-indol-1-ium-3-carboxylic acid Openeye Name: 1-[1-(3-chloro-5-hydroxy-phenyl)-2-hydroxy-1-methyl-2-oxo-ethyl]-1,2-dimethyl-indol-1-ium-3-carboxylic acid CAS Name: 1-[2-(3-chloro-5-hydroxyphenyl)-1-hydroxy-1-oxopropan-2-yl]-1,2-dimethyl-3-indol-1-iumcarboxylic acid IUPAC Name: 1-[2-(3-chloro-5-hydroxyphenyl)-1-hydroxy-1-oxopropan-2-yl]-1,2-dimethylindol-1-ium-3-carboxylic acid Traditional Name: 1-[1-(3-chloro-5-hydroxy-phenyl)-2-hydroxy-2-keto-1-methyl-ethyl]-1,2-dimethyl-indol-1-ium-3-carboxylic acid Formula: C20H19ClNO5+ MolecularWeight: 388.82156

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Descriptors Computed from Structure

Canonical SMILES:

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

InChI

InChI=1S/C20H18ClNO5/c1-11-17(18(24)25)15-6-4-5-7-16(15)22(11,3)20(2,19(26)27)12-8-13(21)10-14(23)9-12/h4-10H,1-3H3,(H2-,23,24,25,26,27)/p+1