ethyl 6-bromanyl-1-methyl-2-[(4-methylmorpholin-4-ium-4-yl)methyl]-5-oxidanyl-indole-3-carboxylate iodide

Systemtic Name: ethyl 6-bromanyl-1-methyl-2-[(4-methylmorpholin-4-ium-4-yl)methyl]-5-oxidanyl-indole-3-carboxylate iodide Openeye Name: ethyl 6-bromo-5-hydroxy-1-methyl-2-[(4-methylmorpholin-4-ium-4-yl)methyl]indole-3-carboxylate iodide CAS Name: 6-bromo-5-hydroxy-1-methyl-2-[(4-methyl-4-morpholin-4-iumyl)methyl]-3-indolecarboxylic acid ethyl ester iodide IUPAC Name: ethyl 6-bromo-5-hydroxy-1-methyl-2-[(4-methylmorpholin-4-ium-4-yl)methyl]indole-3-carboxylate iodide Traditional Name: 6-bromo-5-hydroxy-1-methyl-2-[(4-methylmorpholin-4-ium-4-yl)methyl]indole-3-carboxylic acid ethyl ester iodide Formula: C18H24BrIN2O4 MolecularWeight: 539.20263

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N(C2=CC(=C(C=C21)O)Br)C)C[N+]3(CCOCC3)C.[I-]

Isomeric SMILES

CCOC(=O)C1=C(N(C2=CC(=C(C=C21)O)Br)C)C[N+]3(CCOCC3)C.[I-]

InChI

InChI=1S/C18H23BrN2O4.HI/c1-4-25-18(23)17-12-9-16(22)13(19)10-14(12)20(2)15(17)11-21(3)5-7-24-8-6-21;/h9-10H,4-8,11H2,1-3H3;1H