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

Systemtic Name: 3-[5-methoxycarbonyl-3-(3-oxidanylidene-4H-quinoxalin-2-yl)indol-1-yl]propylazanium ethanoate Openeye Name: 3-[5-methoxycarbonyl-3-(3-oxo-4H-quinoxalin-2-yl)indol-1-yl]propylammonium acetate CAS Name: 3-[5-methoxycarbonyl-3-(3-oxo-4H-quinoxalin-2-yl)-1-indolyl]propylammonium acetate IUPAC Name: 3-[5-methoxycarbonyl-3-(3-oxo-4H-quinoxalin-2-yl)indol-1-yl]propylazanium acetate Traditional Name: 3-[5-carbomethoxy-3-(3-keto-4H-quinoxalin-2-yl)indol-1-yl]propylammonium acetate Formula: C23H24N4O5 MolecularWeight: 436.46046

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)[O-].COC(=O)C1=CC2=C(C=C1)N(C=C2C3=NC4=CC=CC=C4NC3=O)CCC[NH3+]

Isomeric SMILES

CC(=O)[O-].COC(=O)C1=CC2=C(C=C1)N(C=C2C3=NC4=CC=CC=C4NC3=O)CCC[NH3+]

InChI

InChI=1S/C21H20N4O3.C2H4O2/c1-28-21(27)13-7-8-18-14(11-13)15(12-25(18)10-4-9-22)19-20(26)24-17-6-3-2-5-16(17)23-19;1-2(3)4/h2-3,5-8,11-12H,4,9-10,22H2,1H3,(H,24,26);1H3,(H,3,4)