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

Systemtic Name: 3-[3-(6-ethoxycarbonyl-3-oxidanylidene-4H-quinoxalin-2-yl)indol-1-yl]propylazanium ethanoate Openeye Name: 3-[3-(6-ethoxycarbonyl-3-oxo-4H-quinoxalin-2-yl)indol-1-yl]propylammonium acetate CAS Name: 3-[3-(6-ethoxycarbonyl-3-oxo-4H-quinoxalin-2-yl)-1-indolyl]propylammonium acetate IUPAC Name: 3-[3-(6-ethoxycarbonyl-3-oxo-4H-quinoxalin-2-yl)indol-1-yl]propylazanium acetate Traditional Name: 3-[3-(6-carbethoxy-3-keto-4H-quinoxalin-2-yl)indol-1-yl]propylammonium acetate Formula: C24H26N4O5 MolecularWeight: 450.48704

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC2=C(C=C1)N=C(C(=O)N2)C3=CN(C4=CC=CC=C43)CCC[NH3+].CC(=O)[O-]

Isomeric SMILES

CCOC(=O)C1=CC2=C(C=C1)N=C(C(=O)N2)C3=CN(C4=CC=CC=C43)CCC[NH3+].CC(=O)[O-]

InChI

InChI=1S/C22H22N4O3.C2H4O2/c1-2-29-22(28)14-8-9-17-18(12-14)25-21(27)20(24-17)16-13-26(11-5-10-23)19-7-4-3-6-15(16)19;1-2(3)4/h3-4,6-9,12-13H,2,5,10-11,23H2,1H3,(H,25,27);1H3,(H,3,4)