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

Systemtic Name: 2-(3-ethoxycarbonyl-1-ethyl-2-methyl-5-oxidanyl-indol-1-ium-1-yl)-2-methyl-propanoic acid Openeye Name: 2-(3-ethoxycarbonyl-1-ethyl-5-hydroxy-2-methyl-indol-1-ium-1-yl)-2-methyl-propanoic acid CAS Name: 2-(3-ethoxycarbonyl-1-ethyl-5-hydroxy-2-methyl-1-indol-1-iumyl)-2-methylpropanoic acid IUPAC Name: 2-(3-ethoxycarbonyl-1-ethyl-5-hydroxy-2-methylindol-1-ium-1-yl)-2-methylpropanoic acid Traditional Name: 2-(3-carbethoxy-1-ethyl-5-hydroxy-2-methyl-indol-1-ium-1-yl)-2-methyl-propionic acid Formula: C18H24NO5+ MolecularWeight: 334.38686

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H23NO5/c1-6-19(18(4,5)17(22)23)11(3)15(16(21)24-7-2)13-10-12(20)8-9-14(13)19/h8-10H,6-7H2,1-5H3,(H-,20,22,23)/p+1