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

Systemtic Name: ethyl 5-acetyloxy-6-bromanyl-1-(4-methoxyphenyl)-2-(morpholin-4-ium-4-ylmethyl)indole-3-carboxylate chloride Openeye Name: ethyl 5-acetoxy-6-bromo-1-(4-methoxyphenyl)-2-(morpholin-4-ium-4-ylmethyl)indole-3-carboxylate chloride CAS Name: 5-acetyloxy-6-bromo-1-(4-methoxyphenyl)-2-(4-morpholin-4-iumylmethyl)-3-indolecarboxylic acid ethyl ester chloride IUPAC Name: ethyl 5-acetyloxy-6-bromo-1-(4-methoxyphenyl)-2-(morpholin-4-ium-4-ylmethyl)indole-3-carboxylate chloride Traditional Name: 5-acetoxy-6-bromo-1-(4-methoxyphenyl)-2-(morpholin-4-ium-4-ylmethyl)indole-3-carboxylic acid ethyl ester chloride Formula: C25H28BrClN2O6 MolecularWeight: 567.85662

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H27BrN2O6.ClH/c1-4-33-25(30)24-19-13-23(34-16(2)29)20(26)14-21(19)28(17-5-7-18(31-3)8-6-17)22(24)15-27-9-11-32-12-10-27;/h5-8,13-14H,4,9-12,15H2,1-3H3;1H