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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)[O-].CN1C2=CC=CC=C2N=C(C1=O)C3=CN(C4=C3C=C(C=C4)C(=O)OC)CCC[NH3+]

Isomeric SMILES

CC(=O)[O-].CN1C2=CC=CC=C2N=C(C1=O)C3=CN(C4=C3C=C(C=C4)C(=O)OC)CCC[NH3+]

InChI

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