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

Systemtic Name: 3-[3-(3-oxidanylidene-4H-quinoxalin-2-yl)indol-1-yl]propylazanium ethanoate Openeye Name: 3-[3-(3-oxo-4H-quinoxalin-2-yl)indol-1-yl]propylammonium acetate CAS Name: 3-[3-(3-oxo-4H-quinoxalin-2-yl)-1-indolyl]propylammonium acetate IUPAC Name: 3-[3-(3-oxo-4H-quinoxalin-2-yl)indol-1-yl]propylazanium acetate Traditional Name: 3-[3-(3-keto-4H-quinoxalin-2-yl)indol-1-yl]propylammonium acetate Formula: C21H22N4O3 MolecularWeight: 378.42438

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)[O-].C1=CC=C2C(=C1)C(=CN2CCC[NH3+])C3=NC4=CC=CC=C4NC3=O

Isomeric SMILES

CC(=O)[O-].C1=CC=C2C(=C1)C(=CN2CCC[NH3+])C3=NC4=CC=CC=C4NC3=O

InChI

InChI=1S/C19H18N4O.C2H4O2/c20-10-5-11-23-12-14(13-6-1-4-9-17(13)23)18-19(24)22-16-8-3-2-7-15(16)21-18;1-2(3)4/h1-4,6-9,12H,5,10-11,20H2,(H,22,24);1H3,(H,3,4)