3-[3-[6,7-bis(chloranyl)-4-methyl-3-oxidanylidene-quinoxalin-2-yl]-5-methoxycarbonyl-indol-1-yl]propylazanium ethanoate

Systemtic Name: 3-[3-[6,7-bis(chloranyl)-4-methyl-3-oxidanylidene-quinoxalin-2-yl]-5-methoxycarbonyl-indol-1-yl]propylazanium ethanoate Openeye Name: 3-[3-(6,7-dichloro-4-methyl-3-oxo-quinoxalin-2-yl)-5-methoxycarbonyl-indol-1-yl]propylammonium acetate CAS Name: 3-[3-(6,7-dichloro-4-methyl-3-oxo-2-quinoxalinyl)-5-methoxycarbonyl-1-indolyl]propylammonium acetate IUPAC Name: 3-[3-(6,7-dichloro-4-methyl-3-oxoquinoxalin-2-yl)-5-methoxycarbonylindol-1-yl]propylazanium acetate Traditional Name: 3-[5-carbomethoxy-3-(6,7-dichloro-3-keto-4-methyl-quinoxalin-2-yl)indol-1-yl]propylammonium acetate Formula: C24H24Cl2N4O5 MolecularWeight: 519.37716

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H20Cl2N4O3.C2H4O2/c1-27-19-10-16(24)15(23)9-17(19)26-20(21(27)29)14-11-28(7-3-6-25)18-5-4-12(8-13(14)18)22(30)31-2;1-2(3)4/h4-5,8-11H,3,6-7,25H2,1-2H3;1H3,(H,3,4)