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

Systemtic Name: (5-acetyloxy-6-bromanyl-3-ethoxycarbonyl-1-phenyl-indol-2-yl)methyl-diethyl-azanium Openeye Name: (5-acetoxy-6-bromo-3-ethoxycarbonyl-1-phenyl-indol-2-yl)methyl-diethyl-ammonium CAS Name: (5-acetyloxy-6-bromo-3-ethoxycarbonyl-1-phenyl-2-indolyl)methyl-diethylammonium IUPAC Name: (5-acetyloxy-6-bromo-3-ethoxycarbonyl-1-phenylindol-2-yl)methyl-diethylazanium Traditional Name: (5-acetoxy-6-bromo-3-carbethoxy-1-phenyl-indol-2-yl)methyl-diethyl-ammonium Formula: C24H28BrN2O4+ MolecularWeight: 488.39412

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H27BrN2O4/c1-5-26(6-2)15-21-23(24(29)30-7-3)18-13-22(31-16(4)28)19(25)14-20(18)27(21)17-11-9-8-10-12-17/h8-14H,5-7,15H2,1-4H3/p+1