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

Systemtic Name: 3-[3-(7-methyl-3-oxidanylidene-4H-quinoxalin-2-yl)indol-1-yl]propylazanium ethanoate Openeye Name: 3-[3-(7-methyl-3-oxo-4H-quinoxalin-2-yl)indol-1-yl]propylammonium acetate CAS Name: 3-[3-(7-methyl-3-oxo-4H-quinoxalin-2-yl)-1-indolyl]propylammonium acetate IUPAC Name: 3-[3-(7-methyl-3-oxo-4H-quinoxalin-2-yl)indol-1-yl]propylazanium acetate Traditional Name: 3-[3-(3-keto-7-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=CC2=C(C=C1)NC(=O)C(=N2)C3=CN(C4=CC=CC=C43)CCC[NH3+].CC(=O)[O-]

Isomeric SMILES

CC1=CC2=C(C=C1)NC(=O)C(=N2)C3=CN(C4=CC=CC=C43)CCC[NH3+].CC(=O)[O-]

InChI

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