(6-bromanyl-3-ethoxycarbonyl-5-oxidanyl-1-phenyl-indol-2-yl)methyl-diethyl-azanium chloride

Systemtic Name: (6-bromanyl-3-ethoxycarbonyl-5-oxidanyl-1-phenyl-indol-2-yl)methyl-diethyl-azanium chloride Openeye Name: (6-bromo-3-ethoxycarbonyl-5-hydroxy-1-phenyl-indol-2-yl)methyl-diethyl-ammonium chloride CAS Name: (6-bromo-3-ethoxycarbonyl-5-hydroxy-1-phenyl-2-indolyl)methyl-diethylammonium chloride IUPAC Name: (6-bromo-3-ethoxycarbonyl-5-hydroxy-1-phenylindol-2-yl)methyl-diethylazanium chloride Traditional Name: (6-bromo-3-carbethoxy-5-hydroxy-1-phenyl-indol-2-yl)methyl-diethyl-ammonium chloride Formula: C22H26BrClN2O3 MolecularWeight: 481.81044

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+](CC)CC1=C(C2=CC(=C(C=C2N1C3=CC=CC=C3)Br)O)C(=O)OCC.[Cl-]

Isomeric SMILES

CC[NH+](CC)CC1=C(C2=CC(=C(C=C2N1C3=CC=CC=C3)Br)O)C(=O)OCC.[Cl-]

InChI

InChI=1S/C22H25BrN2O3.ClH/c1-4-24(5-2)14-19-21(22(27)28-6-3)16-12-20(26)17(23)13-18(16)25(19)15-10-8-7-9-11-15;/h7-13,26H,4-6,14H2,1-3H3;1H