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

Systemtic Name: 2-(3-ethoxycarbonyl-1,2-dimethyl-5-oxidanyl-indol-1-ium-1-yl)-2-methyl-propanoic acid Openeye Name: 2-(3-ethoxycarbonyl-5-hydroxy-1,2-dimethyl-indol-1-ium-1-yl)-2-methyl-propanoic acid CAS Name: 2-(3-ethoxycarbonyl-5-hydroxy-1,2-dimethyl-1-indol-1-iumyl)-2-methylpropanoic acid IUPAC Name: 2-(3-ethoxycarbonyl-5-hydroxy-1,2-dimethylindol-1-ium-1-yl)-2-methylpropanoic acid Traditional Name: 2-(3-carbethoxy-5-hydroxy-1,2-dimethyl-indol-1-ium-1-yl)-2-methyl-propionic acid Formula: C17H22NO5+ MolecularWeight: 320.36028

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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(=O)O)C

Isomeric SMILES

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

InChI

InChI=1S/C17H21NO5/c1-6-23-15(20)14-10(2)18(5,17(3,4)16(21)22)13-8-7-11(19)9-12(13)14/h7-9H,6H2,1-5H3,(H-,19,21,22)/p+1