3-[5-azanyl-3-(6-azanyl-3-oxidanylidene-4H-quinoxalin-2-yl)indol-1-yl]propylazanium ethanoate

Systemtic Name: 3-[5-azanyl-3-(6-azanyl-3-oxidanylidene-4H-quinoxalin-2-yl)indol-1-yl]propylazanium ethanoate Openeye Name: 3-[5-amino-3-(6-amino-3-oxo-4H-quinoxalin-2-yl)indol-1-yl]propylammonium acetate CAS Name: 3-[5-amino-3-(6-amino-3-oxo-4H-quinoxalin-2-yl)-1-indolyl]propylammonium acetate IUPAC Name: 3-[5-amino-3-(6-amino-3-oxo-4H-quinoxalin-2-yl)indol-1-yl]propylazanium acetate Traditional Name: 3-[5-amino-3-(6-amino-3-keto-4H-quinoxalin-2-yl)indol-1-yl]propylammonium acetate Formula: C21H24N6O3 MolecularWeight: 408.45366

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)[O-].C1=CC2=C(C=C1N)NC(=O)C(=N2)C3=CN(C4=C3C=C(C=C4)N)CCC[NH3+]

Isomeric SMILES

CC(=O)[O-].C1=CC2=C(C=C1N)NC(=O)C(=N2)C3=CN(C4=C3C=C(C=C4)N)CCC[NH3+]

InChI

InChI=1S/C19H20N6O.C2H4O2/c20-6-1-7-25-10-14(13-8-11(21)3-5-17(13)25)18-19(26)24-16-9-12(22)2-4-15(16)23-18;1-2(3)4/h2-5,8-10H,1,6-7,20-22H2,(H,24,26);1H3,(H,3,4)