ethyl 6-bromanyl-2-(morpholin-4-ium-4-ylmethyl)-5-oxidanyl-1-phenyl-indole-3-carboxylate chloride

Systemtic Name: ethyl 6-bromanyl-2-(morpholin-4-ium-4-ylmethyl)-5-oxidanyl-1-phenyl-indole-3-carboxylate chloride Openeye Name: ethyl 6-bromo-5-hydroxy-2-(morpholin-4-ium-4-ylmethyl)-1-phenyl-indole-3-carboxylate chloride CAS Name: 6-bromo-5-hydroxy-2-(4-morpholin-4-iumylmethyl)-1-phenyl-3-indolecarboxylic acid ethyl ester chloride IUPAC Name: ethyl 6-bromo-5-hydroxy-2-(morpholin-4-ium-4-ylmethyl)-1-phenylindole-3-carboxylate chloride Traditional Name: 6-bromo-5-hydroxy-2-(morpholin-4-ium-4-ylmethyl)-1-phenyl-indole-3-carboxylic acid ethyl ester chloride Formula: C22H24BrClN2O4 MolecularWeight: 495.79396

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N(C2=CC(=C(C=C21)O)Br)C3=CC=CC=C3)C[NH+]4CCOCC4.[Cl-]

Isomeric SMILES

CCOC(=O)C1=C(N(C2=CC(=C(C=C21)O)Br)C3=CC=CC=C3)C[NH+]4CCOCC4.[Cl-]

InChI

InChI=1S/C22H23BrN2O4.ClH/c1-2-29-22(27)21-16-12-20(26)17(23)13-18(16)25(15-6-4-3-5-7-15)19(21)14-24-8-10-28-11-9-24;/h3-7,12-13,26H,2,8-11,14H2,1H3;1H