2-(3-ethoxycarbonyl-1,2-dimethyl-5-oxidanyl-indol-1-ium-1-yl)propanoic acid

Systemtic Name: 2-(3-ethoxycarbonyl-1,2-dimethyl-5-oxidanyl-indol-1-ium-1-yl)propanoic acid Openeye Name: 2-(3-ethoxycarbonyl-5-hydroxy-1,2-dimethyl-indol-1-ium-1-yl)propanoic acid CAS Name: 2-(3-ethoxycarbonyl-5-hydroxy-1,2-dimethyl-1-indol-1-iumyl)propanoic acid IUPAC Name: 2-(3-ethoxycarbonyl-5-hydroxy-1,2-dimethylindol-1-ium-1-yl)propanoic acid Traditional Name: 2-(3-carbethoxy-5-hydroxy-1,2-dimethyl-indol-1-ium-1-yl)propionic acid Formula: C16H20NO5+ MolecularWeight: 306.3337

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C([N+](C2=C1C=C(C=C2)O)(C)C(C)C(=O)O)C

Isomeric SMILES

CCOC(=O)C1=C([N+](C2=C1C=C(C=C2)O)(C)C(C)C(=O)O)C

InChI

InChI=1S/C16H19NO5/c1-5-22-16(21)14-9(2)17(4,10(3)15(19)20)13-7-6-11(18)8-12(13)14/h6-8,10H,5H2,1-4H3,(H-,18,19,20)/p+1