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

Systemtic Name: [4-[[3-(3-oxidanylidene-4H-quinoxalin-2-yl)indol-1-yl]methyl]phenyl]methylazanium ethanoate Openeye Name: [4-[[3-(3-oxo-4H-quinoxalin-2-yl)indol-1-yl]methyl]phenyl]methylammonium acetate CAS Name: [4-[[3-(3-oxo-4H-quinoxalin-2-yl)-1-indolyl]methyl]phenyl]methylammonium acetate IUPAC Name: [4-[[3-(3-oxo-4H-quinoxalin-2-yl)indol-1-yl]methyl]phenyl]methylazanium acetate Traditional Name: [4-[[3-(3-keto-4H-quinoxalin-2-yl)indol-1-yl]methyl]benzyl]ammonium acetate Formula: C26H24N4O3 MolecularWeight: 440.49376

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)[O-].C1=CC=C2C(=C1)C(=CN2CC3=CC=C(C=C3)C[NH3+])C4=NC5=CC=CC=C5NC4=O

Isomeric SMILES

CC(=O)[O-].C1=CC=C2C(=C1)C(=CN2CC3=CC=C(C=C3)C[NH3+])C4=NC5=CC=CC=C5NC4=O

InChI

InChI=1S/C24H20N4O.C2H4O2/c25-13-16-9-11-17(12-10-16)14-28-15-19(18-5-1-4-8-22(18)28)23-24(29)27-21-7-3-2-6-20(21)26-23;1-2(3)4/h1-12,15H,13-14,25H2,(H,27,29);1H3,(H,3,4)