3-[5-azanyl-3-(7-methyl-3-oxidanylidene-4H-quinoxalin-2-yl)indol-1-yl]propylazanium ethanoate

Systemtic Name: 3-[5-azanyl-3-(7-methyl-3-oxidanylidene-4H-quinoxalin-2-yl)indol-1-yl]propylazanium ethanoate Openeye Name: 3-[5-amino-3-(7-methyl-3-oxo-4H-quinoxalin-2-yl)indol-1-yl]propylammonium acetate CAS Name: 3-[5-amino-3-(7-methyl-3-oxo-4H-quinoxalin-2-yl)-1-indolyl]propylammonium acetate IUPAC Name: 3-[5-amino-3-(7-methyl-3-oxo-4H-quinoxalin-2-yl)indol-1-yl]propylazanium acetate Traditional Name: 3-[5-amino-3-(3-keto-7-methyl-4H-quinoxalin-2-yl)indol-1-yl]propylammonium acetate Formula: C22H25N5O3 MolecularWeight: 407.4656

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)NC(=O)C(=N2)C3=CN(C4=C3C=C(C=C4)N)CCC[NH3+].CC(=O)[O-]

Isomeric SMILES

CC1=CC2=C(C=C1)NC(=O)C(=N2)C3=CN(C4=C3C=C(C=C4)N)CCC[NH3+].CC(=O)[O-]

InChI

InChI=1S/C20H21N5O.C2H4O2/c1-12-3-5-16-17(9-12)23-19(20(26)24-16)15-11-25(8-2-7-21)18-6-4-13(22)10-14(15)18;1-2(3)4/h3-6,9-11H,2,7-8,21-22H2,1H3,(H,24,26);1H3,(H,3,4)