3-[3-(6-fluoranyl-3-oxidanylidene-4H-quinoxalin-2-yl)indol-1-yl]propylazanium ethanoate

Systemtic Name: 3-[3-(6-fluoranyl-3-oxidanylidene-4H-quinoxalin-2-yl)indol-1-yl]propylazanium ethanoate Openeye Name: 3-[3-(6-fluoro-3-oxo-4H-quinoxalin-2-yl)indol-1-yl]propylammonium acetate CAS Name: 3-[3-(6-fluoro-3-oxo-4H-quinoxalin-2-yl)-1-indolyl]propylammonium acetate IUPAC Name: 3-[3-(6-fluoro-3-oxo-4H-quinoxalin-2-yl)indol-1-yl]propylazanium acetate Traditional Name: 3-[3-(6-fluoro-3-keto-4H-quinoxalin-2-yl)indol-1-yl]propylammonium acetate Formula: C21H21FN4O3 MolecularWeight: 396.414843

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)[O-].C1=CC=C2C(=C1)C(=CN2CCC[NH3+])C3=NC4=C(C=C(C=C4)F)NC3=O

Isomeric SMILES

CC(=O)[O-].C1=CC=C2C(=C1)C(=CN2CCC[NH3+])C3=NC4=C(C=C(C=C4)F)NC3=O

InChI

InChI=1S/C19H17FN4O.C2H4O2/c20-12-6-7-15-16(10-12)23-19(25)18(22-15)14-11-24(9-3-8-21)17-5-2-1-4-13(14)17;1-2(3)4/h1-2,4-7,10-11H,3,8-9,21H2,(H,23,25);1H3,(H,3,4)