3-[3-(5-methyl-3-oxidanylidene-4H-quinoxalin-2-yl)indol-1-yl]propylazanium ethanoate

Systemtic Name: 3-[3-(5-methyl-3-oxidanylidene-4H-quinoxalin-2-yl)indol-1-yl]propylazanium ethanoate Openeye Name: 3-[3-(5-methyl-3-oxo-4H-quinoxalin-2-yl)indol-1-yl]propylammonium acetate CAS Name: 3-[3-(5-methyl-3-oxo-4H-quinoxalin-2-yl)-1-indolyl]propylammonium acetate IUPAC Name: 3-[3-(5-methyl-3-oxo-4H-quinoxalin-2-yl)indol-1-yl]propylazanium acetate Traditional Name: 3-[3-(3-keto-5-methyl-4H-quinoxalin-2-yl)indol-1-yl]propylammonium acetate Formula: C22H24N4O3 MolecularWeight: 392.45096

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C2C(=CC=C1)N=C(C(=O)N2)C3=CN(C4=CC=CC=C43)CCC[NH3+].CC(=O)[O-]

Isomeric SMILES

CC1=C2C(=CC=C1)N=C(C(=O)N2)C3=CN(C4=CC=CC=C43)CCC[NH3+].CC(=O)[O-]

InChI

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