2-(3-ethoxycarbonyl-2-methyl-5-oxidanyl-1-propan-2-yl-indol-1-ium-1-yl)-2-methyl-propanoic acid

Systemtic Name: 2-(3-ethoxycarbonyl-2-methyl-5-oxidanyl-1-propan-2-yl-indol-1-ium-1-yl)-2-methyl-propanoic acid Openeye Name: 2-(3-ethoxycarbonyl-5-hydroxy-1-isopropyl-2-methyl-indol-1-ium-1-yl)-2-methyl-propanoic acid CAS Name: 2-(3-ethoxycarbonyl-5-hydroxy-2-methyl-1-propan-2-yl-1-indol-1-iumyl)-2-methylpropanoic acid IUPAC Name: 2-(3-ethoxycarbonyl-5-hydroxy-2-methyl-1-propan-2-ylindol-1-ium-1-yl)-2-methylpropanoic acid Traditional Name: 2-(3-carbethoxy-5-hydroxy-1-isopropyl-2-methyl-indol-1-ium-1-yl)-2-methyl-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)(C(C)C)C(C)(C)C(=O)O)C

Isomeric SMILES

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

InChI

InChI=1S/C19H25NO5/c1-7-25-17(22)16-12(4)20(11(2)3,19(5,6)18(23)24)15-9-8-13(21)10-14(15)16/h8-11H,7H2,1-6H3,(H-,21,23,24)/p+1