[3-[[5-bromanyl-3-(3-oxidanylidene-4H-quinoxalin-2-yl)indol-1-yl]methyl]phenyl]methylazanium ethanoate

Systemtic Name: [3-[[5-bromanyl-3-(3-oxidanylidene-4H-quinoxalin-2-yl)indol-1-yl]methyl]phenyl]methylazanium ethanoate Openeye Name: [3-[[5-bromo-3-(3-oxo-4H-quinoxalin-2-yl)indol-1-yl]methyl]phenyl]methylammonium acetate CAS Name: [3-[[5-bromo-3-(3-oxo-4H-quinoxalin-2-yl)-1-indolyl]methyl]phenyl]methylammonium acetate IUPAC Name: [3-[[5-bromo-3-(3-oxo-4H-quinoxalin-2-yl)indol-1-yl]methyl]phenyl]methylazanium acetate Traditional Name: [3-[[5-bromo-3-(3-keto-4H-quinoxalin-2-yl)indol-1-yl]methyl]benzyl]ammonium acetate Formula: C26H23BrN4O3 MolecularWeight: 519.38982

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)[O-].C1=CC=C2C(=C1)NC(=O)C(=N2)C3=CN(C4=C3C=C(C=C4)Br)CC5=CC(=CC=C5)C[NH3+]

Isomeric SMILES

CC(=O)[O-].C1=CC=C2C(=C1)NC(=O)C(=N2)C3=CN(C4=C3C=C(C=C4)Br)CC5=CC(=CC=C5)C[NH3+]

InChI

InChI=1S/C24H19BrN4O.C2H4O2/c25-17-8-9-22-18(11-17)19(14-29(22)13-16-5-3-4-15(10-16)12-26)23-24(30)28-21-7-2-1-6-20(21)27-23;1-2(3)4/h1-11,14H,12-13,26H2,(H,28,30);1H3,(H,3,4)