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

Systemtic Name: ethyl 6-bromanyl-5-methoxy-2-(morpholin-4-ium-4-ylmethyl)-1-phenyl-indole-3-carboxylate Openeye Name: ethyl 6-bromo-5-methoxy-2-(morpholin-4-ium-4-ylmethyl)-1-phenyl-indole-3-carboxylate CAS Name: 6-bromo-5-methoxy-2-(4-morpholin-4-iumylmethyl)-1-phenyl-3-indolecarboxylic acid ethyl ester IUPAC Name: ethyl 6-bromo-5-methoxy-2-(morpholin-4-ium-4-ylmethyl)-1-phenylindole-3-carboxylate Traditional Name: 6-bromo-5-methoxy-2-(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)OC)Br)C3=CC=CC=C3)C[NH+]4CCOCC4

Isomeric SMILES

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

InChI

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