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

Systemtic Name: ethyl 6-bromanyl-2-methyl-4-(morpholin-4-ium-4-ylmethyl)-5-oxidanyl-1-phenyl-indole-3-carboxylate Openeye Name: ethyl 6-bromo-5-hydroxy-2-methyl-4-(morpholin-4-ium-4-ylmethyl)-1-phenyl-indole-3-carboxylate CAS Name: 6-bromo-5-hydroxy-2-methyl-4-(4-morpholin-4-iumylmethyl)-1-phenyl-3-indolecarboxylic acid ethyl ester IUPAC Name: ethyl 6-bromo-5-hydroxy-2-methyl-4-(morpholin-4-ium-4-ylmethyl)-1-phenylindole-3-carboxylate Traditional Name: 6-bromo-5-hydroxy-2-methyl-4-(morpholin-4-ium-4-ylmethyl)-1-phenyl-indole-3-carboxylic acid ethyl ester Formula: C23H26BrN2O4+ MolecularWeight: 474.36754

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N(C2=CC(=C(C(=C21)C[NH+]3CCOCC3)O)Br)C4=CC=CC=C4)C

Isomeric SMILES

CCOC(=O)C1=C(N(C2=CC(=C(C(=C21)C[NH+]3CCOCC3)O)Br)C4=CC=CC=C4)C

InChI

InChI=1S/C23H25BrN2O4/c1-3-30-23(28)20-15(2)26(16-7-5-4-6-8-16)19-13-18(24)22(27)17(21(19)20)14-25-9-11-29-12-10-25/h4-8,13,27H,3,9-12,14H2,1-2H3/p+1