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

Systemtic Name: 1-[1-(3-hydroxyphenyl)-2-oxidanyl-2-oxidanylidene-ethyl]-1,2-dimethyl-indol-1-ium-3-carboxylic acid Openeye Name: 1-[2-hydroxy-1-(3-hydroxyphenyl)-2-oxo-ethyl]-1,2-dimethyl-indol-1-ium-3-carboxylic acid CAS Name: 1-[2-hydroxy-1-(3-hydroxyphenyl)-2-oxoethyl]-1,2-dimethyl-3-indol-1-iumcarboxylic acid IUPAC Name: 1-[2-hydroxy-1-(3-hydroxyphenyl)-2-oxoethyl]-1,2-dimethylindol-1-ium-3-carboxylic acid Traditional Name: 1-[2-hydroxy-1-(3-hydroxyphenyl)-2-keto-ethyl]-1,2-dimethyl-indol-1-ium-3-carboxylic acid Formula: C19H18NO5+ MolecularWeight: 340.34992

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Descriptors Computed from Structure

Canonical SMILES:

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

InChI

InChI=1S/C19H17NO5/c1-11-16(18(22)23)14-8-3-4-9-15(14)20(11,2)17(19(24)25)12-6-5-7-13(21)10-12/h3-10,17H,1-2H3,(H2-,21,22,23,24,25)/p+1