3-[3-(6,7-dimethyl-3-oxidanylidene-4H-quinoxalin-2-yl)indol-1-yl]propylazanium ethanoate

Systemtic Name: 3-[3-(6,7-dimethyl-3-oxidanylidene-4H-quinoxalin-2-yl)indol-1-yl]propylazanium ethanoate Openeye Name: 3-[3-(6,7-dimethyl-3-oxo-4H-quinoxalin-2-yl)indol-1-yl]propylammonium acetate CAS Name: 3-[3-(6,7-dimethyl-3-oxo-4H-quinoxalin-2-yl)-1-indolyl]propylammonium acetate IUPAC Name: 3-[3-(6,7-dimethyl-3-oxo-4H-quinoxalin-2-yl)indol-1-yl]propylazanium acetate Traditional Name: 3-[3-(3-keto-6,7-dimethyl-4H-quinoxalin-2-yl)indol-1-yl]propylammonium acetate Formula: C23H26N4O3 MolecularWeight: 406.47754

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1C)N=C(C(=O)N2)C3=CN(C4=CC=CC=C43)CCC[NH3+].CC(=O)[O-]

Isomeric SMILES

CC1=CC2=C(C=C1C)N=C(C(=O)N2)C3=CN(C4=CC=CC=C43)CCC[NH3+].CC(=O)[O-]

InChI

InChI=1S/C21H22N4O.C2H4O2/c1-13-10-17-18(11-14(13)2)24-21(26)20(23-17)16-12-25(9-5-8-22)19-7-4-3-6-15(16)19;1-2(3)4/h3-4,6-7,10-12H,5,8-9,22H2,1-2H3,(H,24,26);1H3,(H,3,4)