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

Systemtic Name: 3-[2-methyl-3-(3-oxidanylidene-4H-quinoxalin-2-yl)indol-1-yl]propylazanium ethanoate Openeye Name: 3-[2-methyl-3-(3-oxo-4H-quinoxalin-2-yl)indol-1-yl]propylammonium acetate CAS Name: 3-[2-methyl-3-(3-oxo-4H-quinoxalin-2-yl)-1-indolyl]propylammonium acetate IUPAC Name: 3-[2-methyl-3-(3-oxo-4H-quinoxalin-2-yl)indol-1-yl]propylazanium acetate Traditional Name: 3-[3-(3-keto-4H-quinoxalin-2-yl)-2-methyl-indol-1-yl]propylammonium acetate Formula: C22H24N4O3 MolecularWeight: 392.45096

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=CC=CC=C2N1CCC[NH3+])C3=NC4=CC=CC=C4NC3=O.CC(=O)[O-]

Isomeric SMILES

CC1=C(C2=CC=CC=C2N1CCC[NH3+])C3=NC4=CC=CC=C4NC3=O.CC(=O)[O-]

InChI

InChI=1S/C20H20N4O.C2H4O2/c1-13-18(14-7-2-5-10-17(14)24(13)12-6-11-21)19-20(25)23-16-9-4-3-8-15(16)22-19;1-2(3)4/h2-5,7-10H,6,11-12,21H2,1H3,(H,23,25);1H3,(H,3,4)