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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)[O-].CN1C2=CC=CC=C2N=C(C1=O)C3=CN(C4=CC=CC=C43)CCC[NH3+]

Isomeric SMILES

CC(=O)[O-].CN1C2=CC=CC=C2N=C(C1=O)C3=CN(C4=CC=CC=C43)CCC[NH3+]

InChI

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