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

Systemtic Name: 1-[2-(3-hydroxyphenyl)-1-oxidanyl-1-oxidanylidene-propan-2-yl]-1,2-dimethyl-indol-1-ium-3-carboxylic acid Openeye Name: 1-[2-hydroxy-1-(3-hydroxyphenyl)-1-methyl-2-oxo-ethyl]-1,2-dimethyl-indol-1-ium-3-carboxylic acid CAS Name: 1-[1-hydroxy-2-(3-hydroxyphenyl)-1-oxopropan-2-yl]-1,2-dimethyl-3-indol-1-iumcarboxylic acid IUPAC Name: 1-[1-hydroxy-2-(3-hydroxyphenyl)-1-oxopropan-2-yl]-1,2-dimethylindol-1-ium-3-carboxylic acid Traditional Name: 1-[2-hydroxy-1-(3-hydroxyphenyl)-2-keto-1-methyl-ethyl]-1,2-dimethyl-indol-1-ium-3-carboxylic acid Formula: C20H20NO5+ MolecularWeight: 354.3765

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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)O)C(=O)O)C(=O)O

Isomeric SMILES

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

InChI

InChI=1S/C20H19NO5/c1-12-17(18(23)24)15-9-4-5-10-16(15)21(12,3)20(2,19(25)26)13-7-6-8-14(22)11-13/h4-11H,1-3H3,(H2-,22,23,24,25,26)/p+1