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

Systemtic Name: ethyl 6-bromanyl-5-methoxy-1-(2-methoxy-2-oxidanylidene-ethyl)-2-(morpholin-4-ium-4-ylmethyl)indole-3-carboxylate Openeye Name: ethyl 6-bromo-5-methoxy-1-(2-methoxy-2-oxo-ethyl)-2-(morpholin-4-ium-4-ylmethyl)indole-3-carboxylate CAS Name: 6-bromo-5-methoxy-1-(2-methoxy-2-oxoethyl)-2-(4-morpholin-4-iumylmethyl)-3-indolecarboxylic acid ethyl ester IUPAC Name: ethyl 6-bromo-5-methoxy-1-(2-methoxy-2-oxoethyl)-2-(morpholin-4-ium-4-ylmethyl)indole-3-carboxylate Traditional Name: 6-bromo-1-(2-keto-2-methoxy-ethyl)-5-methoxy-2-(morpholin-4-ium-4-ylmethyl)indole-3-carboxylic acid ethyl ester Formula: C20H26BrN2O6+ MolecularWeight: 470.33424

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H25BrN2O6/c1-4-29-20(25)19-13-9-17(26-2)14(21)10-15(13)23(12-18(24)27-3)16(19)11-22-5-7-28-8-6-22/h9-10H,4-8,11-12H2,1-3H3/p+1