3-[5-methoxycarbonyl-3-(7-methyl-3-oxidanylidene-4H-quinoxalin-2-yl)indol-1-yl]propylazanium ethanoate

Systemtic Name: 3-[5-methoxycarbonyl-3-(7-methyl-3-oxidanylidene-4H-quinoxalin-2-yl)indol-1-yl]propylazanium ethanoate Openeye Name: 3-[5-methoxycarbonyl-3-(7-methyl-3-oxo-4H-quinoxalin-2-yl)indol-1-yl]propylammonium acetate CAS Name: 3-[5-methoxycarbonyl-3-(7-methyl-3-oxo-4H-quinoxalin-2-yl)-1-indolyl]propylammonium acetate IUPAC Name: 3-[5-methoxycarbonyl-3-(7-methyl-3-oxo-4H-quinoxalin-2-yl)indol-1-yl]propylazanium acetate Traditional Name: 3-[5-carbomethoxy-3-(3-keto-7-methyl-4H-quinoxalin-2-yl)indol-1-yl]propylammonium acetate Formula: C24H26N4O5 MolecularWeight: 450.48704

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)NC(=O)C(=N2)C3=CN(C4=C3C=C(C=C4)C(=O)OC)CCC[NH3+].CC(=O)[O-]

Isomeric SMILES

CC1=CC2=C(C=C1)NC(=O)C(=N2)C3=CN(C4=C3C=C(C=C4)C(=O)OC)CCC[NH3+].CC(=O)[O-]

InChI

InChI=1S/C22H22N4O3.C2H4O2/c1-13-4-6-17-18(10-13)24-20(21(27)25-17)16-12-26(9-3-8-23)19-7-5-14(11-15(16)19)22(28)29-2;1-2(3)4/h4-7,10-12H,3,8-9,23H2,1-2H3,(H,25,27);1H3,(H,3,4)