2-[3-ethoxycarbonyl-2-methyl-1-(2-methylpropyl)-5-oxidanyl-indol-1-ium-1-yl]propanoic acid

Systemtic Name: 2-[3-ethoxycarbonyl-2-methyl-1-(2-methylpropyl)-5-oxidanyl-indol-1-ium-1-yl]propanoic acid Openeye Name: 2-(3-ethoxycarbonyl-5-hydroxy-1-isobutyl-2-methyl-indol-1-ium-1-yl)propanoic acid CAS Name: 2-[3-ethoxycarbonyl-5-hydroxy-2-methyl-1-(2-methylpropyl)-1-indol-1-iumyl]propanoic acid IUPAC Name: 2-[3-ethoxycarbonyl-5-hydroxy-2-methyl-1-(2-methylpropyl)indol-1-ium-1-yl]propanoic acid Traditional Name: 2-(3-carbethoxy-5-hydroxy-1-isobutyl-2-methyl-indol-1-ium-1-yl)propionic acid Formula: C19H26NO5+ MolecularWeight: 348.41344

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H25NO5/c1-6-25-19(24)17-12(4)20(10-11(2)3,13(5)18(22)23)16-8-7-14(21)9-15(16)17/h7-9,11,13H,6,10H2,1-5H3,(H-,21,22,23)/p+1