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

Systemtic Name: ethyl 6-bromanyl-2-(morpholin-4-ium-4-ylmethyl)-5-oxidanyl-1-phenyl-indole-3-carboxylate Openeye Name: ethyl 6-bromo-5-hydroxy-2-(morpholin-4-ium-4-ylmethyl)-1-phenyl-indole-3-carboxylate CAS Name: 6-bromo-5-hydroxy-2-(4-morpholin-4-iumylmethyl)-1-phenyl-3-indolecarboxylic acid ethyl ester IUPAC Name: ethyl 6-bromo-5-hydroxy-2-(morpholin-4-ium-4-ylmethyl)-1-phenylindole-3-carboxylate Traditional Name: 6-bromo-5-hydroxy-2-(morpholin-4-ium-4-ylmethyl)-1-phenyl-indole-3-carboxylic acid ethyl ester Formula: C22H24BrN2O4+ MolecularWeight: 460.34096

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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

Isomeric SMILES

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

InChI

InChI=1S/C22H23BrN2O4/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/p+1