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

Systemtic Name: 3-[3-(5-oxidanyl-3-oxidanylidene-4H-quinoxalin-2-yl)indol-1-yl]propylazanium ethanoate Openeye Name: 3-[3-(5-hydroxy-3-oxo-4H-quinoxalin-2-yl)indol-1-yl]propylammonium acetate CAS Name: 3-[3-(5-hydroxy-3-oxo-4H-quinoxalin-2-yl)-1-indolyl]propylammonium acetate IUPAC Name: 3-[3-(5-hydroxy-3-oxo-4H-quinoxalin-2-yl)indol-1-yl]propylazanium acetate Traditional Name: 3-[3-(5-hydroxy-3-keto-4H-quinoxalin-2-yl)indol-1-yl]propylammonium acetate Formula: C21H22N4O4 MolecularWeight: 394.42378

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)[O-].C1=CC=C2C(=C1)C(=CN2CCC[NH3+])C3=NC4=C(C(=CC=C4)O)NC3=O

Isomeric SMILES

CC(=O)[O-].C1=CC=C2C(=C1)C(=CN2CCC[NH3+])C3=NC4=C(C(=CC=C4)O)NC3=O

InChI

InChI=1S/C19H18N4O2.C2H4O2/c20-9-4-10-23-11-13(12-5-1-2-7-15(12)23)17-19(25)22-18-14(21-17)6-3-8-16(18)24;1-2(3)4/h1-3,5-8,11,24H,4,9-10,20H2,(H,22,25);1H3,(H,3,4)