2-[3-(3-oxidanylidene-4H-quinoxalin-2-yl)indol-1-yl]ethylazanium ethanoate

Systemtic Name: 2-[3-(3-oxidanylidene-4H-quinoxalin-2-yl)indol-1-yl]ethylazanium ethanoate Openeye Name: 2-[3-(3-oxo-4H-quinoxalin-2-yl)indol-1-yl]ethylammonium acetate CAS Name: 2-[3-(3-oxo-4H-quinoxalin-2-yl)-1-indolyl]ethylammonium acetate IUPAC Name: 2-[3-(3-oxo-4H-quinoxalin-2-yl)indol-1-yl]ethylazanium acetate Traditional Name: 2-[3-(3-keto-4H-quinoxalin-2-yl)indol-1-yl]ethylammonium acetate Formula: C20H20N4O3 MolecularWeight: 364.3978

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)[O-].C1=CC=C2C(=C1)C(=CN2CC[NH3+])C3=NC4=CC=CC=C4NC3=O

Isomeric SMILES

CC(=O)[O-].C1=CC=C2C(=C1)C(=CN2CC[NH3+])C3=NC4=CC=CC=C4NC3=O

InChI

InChI=1S/C18H16N4O.C2H4O2/c19-9-10-22-11-13(12-5-1-4-8-16(12)22)17-18(23)21-15-7-3-2-6-14(15)20-17;1-2(3)4/h1-8,11H,9-10,19H2,(H,21,23);1H3,(H,3,4)