3-[3-(7-methoxy-4-methyl-3-oxidanylidene-quinoxalin-2-yl)-6-oxidanyl-indol-1-yl]propylazanium ethanoate

Systemtic Name: 3-[3-(7-methoxy-4-methyl-3-oxidanylidene-quinoxalin-2-yl)-6-oxidanyl-indol-1-yl]propylazanium ethanoate Openeye Name: 3-[6-hydroxy-3-(7-methoxy-4-methyl-3-oxo-quinoxalin-2-yl)indol-1-yl]propylammonium acetate CAS Name: 3-[6-hydroxy-3-(7-methoxy-4-methyl-3-oxo-2-quinoxalinyl)-1-indolyl]propylammonium acetate IUPAC Name: 3-[6-hydroxy-3-(7-methoxy-4-methyl-3-oxoquinoxalin-2-yl)indol-1-yl]propylazanium acetate Traditional Name: 3-[6-hydroxy-3-(3-keto-7-methoxy-4-methyl-quinoxalin-2-yl)indol-1-yl]propylammonium acetate Formula: C23H26N4O5 MolecularWeight: 438.47634

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)[O-].CN1C2=C(C=C(C=C2)OC)N=C(C1=O)C3=CN(C4=C3C=CC(=C4)O)CCC[NH3+]

Isomeric SMILES

CC(=O)[O-].CN1C2=C(C=C(C=C2)OC)N=C(C1=O)C3=CN(C4=C3C=CC(=C4)O)CCC[NH3+]

InChI

InChI=1S/C21H22N4O3.C2H4O2/c1-24-18-7-5-14(28-2)11-17(18)23-20(21(24)27)16-12-25(9-3-8-22)19-10-13(26)4-6-15(16)19;1-2(3)4/h4-7,10-12,26H,3,8-9,22H2,1-2H3;1H3,(H,3,4)