1-ethyl-2-methyl-5-oxidanyl-1-(1-oxidanyl-1-oxidanylidene-propan-2-yl)indol-1-ium-3-carboxylic acid

Systemtic Name: 1-ethyl-2-methyl-5-oxidanyl-1-(1-oxidanyl-1-oxidanylidene-propan-2-yl)indol-1-ium-3-carboxylic acid Openeye Name: 1-ethyl-5-hydroxy-1-(2-hydroxy-1-methyl-2-oxo-ethyl)-2-methyl-indol-1-ium-3-carboxylic acid CAS Name: 1-ethyl-5-hydroxy-1-(1-hydroxy-1-oxopropan-2-yl)-2-methyl-3-indol-1-iumcarboxylic acid IUPAC Name: 1-ethyl-5-hydroxy-1-(1-hydroxy-1-oxopropan-2-yl)-2-methylindol-1-ium-3-carboxylic acid Traditional Name: 1-ethyl-5-hydroxy-1-(2-hydroxy-2-keto-1-methyl-ethyl)-2-methyl-indol-1-ium-3-carboxylic acid Formula: C15H18NO5+ MolecularWeight: 292.30712

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Descriptors Computed from Structure

Canonical SMILES:

CC[N+]1(C(=C(C2=C1C=CC(=C2)O)C(=O)O)C)C(C)C(=O)O

Isomeric SMILES

CC[N+]1(C(=C(C2=C1C=CC(=C2)O)C(=O)O)C)C(C)C(=O)O

InChI

InChI=1S/C15H17NO5/c1-4-16(9(3)14(18)19)8(2)13(15(20)21)11-7-10(17)5-6-12(11)16/h5-7,9H,4H2,1-3H3,(H2-,17,18,19,20,21)/p+1