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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C2=CC=CC=C2N1CCC[NH3+])C3=NC4=CC=CC=C4NC3=O.CC(=O)[O-]

Isomeric SMILES

CCC1=C(C2=CC=CC=C2N1CCC[NH3+])C3=NC4=CC=CC=C4NC3=O.CC(=O)[O-]

InChI

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