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

Systemtic Name: 3-[3-[6,7-bis(chloranyl)-4-methyl-3-oxidanylidene-quinoxalin-2-yl]-2-ethyl-indol-1-yl]propylazanium ethanoate Openeye Name: 3-[3-(6,7-dichloro-4-methyl-3-oxo-quinoxalin-2-yl)-2-ethyl-indol-1-yl]propylammonium acetate CAS Name: 3-[3-(6,7-dichloro-4-methyl-3-oxo-2-quinoxalinyl)-2-ethyl-1-indolyl]propylammonium acetate IUPAC Name: 3-[3-(6,7-dichloro-4-methyl-3-oxoquinoxalin-2-yl)-2-ethylindol-1-yl]propylazanium acetate Traditional Name: 3-[3-(6,7-dichloro-3-keto-4-methyl-quinoxalin-2-yl)-2-ethyl-indol-1-yl]propylammonium acetate Formula: C24H26Cl2N4O3 MolecularWeight: 489.39424

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C2=CC=CC=C2N1CCC[NH3+])C3=NC4=CC(=C(C=C4N(C3=O)C)Cl)Cl.CC(=O)[O-]

Isomeric SMILES

CCC1=C(C2=CC=CC=C2N1CCC[NH3+])C3=NC4=CC(=C(C=C4N(C3=O)C)Cl)Cl.CC(=O)[O-]

InChI

InChI=1S/C22H22Cl2N4O.C2H4O2/c1-3-17-20(13-7-4-5-8-18(13)28(17)10-6-9-25)21-22(29)27(2)19-12-15(24)14(23)11-16(19)26-21;1-2(3)4/h4-5,7-8,11-12H,3,6,9-10,25H2,1-2H3;1H3,(H,3,4)