(5-acetyloxy-6-bromanyl-3-ethoxycarbonyl-1-methyl-indol-2-yl)methyl-(2-hydroxyethyl)-dimethyl-azanium iodide

Systemtic Name: (5-acetyloxy-6-bromanyl-3-ethoxycarbonyl-1-methyl-indol-2-yl)methyl-(2-hydroxyethyl)-dimethyl-azanium iodide Openeye Name: (5-acetoxy-6-bromo-3-ethoxycarbonyl-1-methyl-indol-2-yl)methyl-(2-hydroxyethyl)-dimethyl-ammonium iodide CAS Name: (5-acetyloxy-6-bromo-3-ethoxycarbonyl-1-methyl-2-indolyl)methyl-(2-hydroxyethyl)-dimethylammonium iodide IUPAC Name: (5-acetyloxy-6-bromo-3-ethoxycarbonyl-1-methylindol-2-yl)methyl-(2-hydroxyethyl)-dimethylazanium iodide Traditional Name: (5-acetoxy-6-bromo-3-carbethoxy-1-methyl-indol-2-yl)methyl-(2-hydroxyethyl)-dimethyl-ammonium iodide Formula: C19H26BrIN2O5 MolecularWeight: 569.22861

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N(C2=CC(=C(C=C21)OC(=O)C)Br)C)C[N+](C)(C)CCO.[I-]

Isomeric SMILES

CCOC(=O)C1=C(N(C2=CC(=C(C=C21)OC(=O)C)Br)C)C[N+](C)(C)CCO.[I-]

InChI

InChI=1S/C19H26BrN2O5.HI/c1-6-26-19(25)18-13-9-17(27-12(2)24)14(20)10-15(13)21(3)16(18)11-22(4,5)7-8-23;/h9-10,23H,6-8,11H2,1-5H3;1H/q+1;/p-1