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

Systemtic Name: ethyl 5-acetyloxy-6-bromanyl-1-methyl-2-(morpholin-4-ium-4-ylmethyl)indole-3-carboxylate Openeye Name: ethyl 5-acetoxy-6-bromo-1-methyl-2-(morpholin-4-ium-4-ylmethyl)indole-3-carboxylate CAS Name: 5-acetyloxy-6-bromo-1-methyl-2-(4-morpholin-4-iumylmethyl)-3-indolecarboxylic acid ethyl ester IUPAC Name: ethyl 5-acetyloxy-6-bromo-1-methyl-2-(morpholin-4-ium-4-ylmethyl)indole-3-carboxylate Traditional Name: 5-acetoxy-6-bromo-1-methyl-2-(morpholin-4-ium-4-ylmethyl)indole-3-carboxylic acid ethyl ester Formula: C19H24BrN2O5+ MolecularWeight: 440.30826

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H23BrN2O5/c1-4-26-19(24)18-13-9-17(27-12(2)23)14(20)10-15(13)21(3)16(18)11-22-5-7-25-8-6-22/h9-10H,4-8,11H2,1-3H3/p+1