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

Systemtic Name: ethyl 5-acetyloxy-6-bromanyl-1-(4-methylphenyl)-2-(morpholin-4-ium-4-ylmethyl)indole-3-carboxylate chloride Openeye Name: ethyl 5-acetoxy-6-bromo-2-(morpholin-4-ium-4-ylmethyl)-1-(p-tolyl)indole-3-carboxylate chloride CAS Name: 5-acetyloxy-6-bromo-1-(4-methylphenyl)-2-(4-morpholin-4-iumylmethyl)-3-indolecarboxylic acid ethyl ester chloride IUPAC Name: ethyl 5-acetyloxy-6-bromo-1-(4-methylphenyl)-2-(morpholin-4-ium-4-ylmethyl)indole-3-carboxylate chloride Traditional Name: 5-acetoxy-6-bromo-2-(morpholin-4-ium-4-ylmethyl)-1-(p-tolyl)indole-3-carboxylic acid ethyl ester chloride Formula: C25H28BrClN2O5 MolecularWeight: 551.85722

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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)C)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)C)C[NH+]4CCOCC4.[Cl-]

InChI

InChI=1S/C25H27BrN2O5.ClH/c1-4-32-25(30)24-19-13-23(33-17(3)29)20(26)14-21(19)28(18-7-5-16(2)6-8-18)22(24)15-27-9-11-31-12-10-27;/h5-8,13-14H,4,9-12,15H2,1-3H3;1H