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

Systemtic Name: 4-[3-(3-oxidanylidene-4H-quinoxalin-2-yl)indol-1-yl]butylazanium ethanoate Openeye Name: 4-[3-(3-oxo-4H-quinoxalin-2-yl)indol-1-yl]butylammonium acetate CAS Name: 4-[3-(3-oxo-4H-quinoxalin-2-yl)-1-indolyl]butylammonium acetate IUPAC Name: 4-[3-(3-oxo-4H-quinoxalin-2-yl)indol-1-yl]butylazanium acetate Traditional Name: 4-[3-(3-keto-4H-quinoxalin-2-yl)indol-1-yl]butylammonium acetate Formula: C22H24N4O3 MolecularWeight: 392.45096

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)[O-].C1=CC=C2C(=C1)C(=CN2CCCC[NH3+])C3=NC4=CC=CC=C4NC3=O

Isomeric SMILES

CC(=O)[O-].C1=CC=C2C(=C1)C(=CN2CCCC[NH3+])C3=NC4=CC=CC=C4NC3=O

InChI

InChI=1S/C20H20N4O.C2H4O2/c21-11-5-6-12-24-13-15(14-7-1-4-10-18(14)24)19-20(25)23-17-9-3-2-8-16(17)22-19;1-2(3)4/h1-4,7-10,13H,5-6,11-12,21H2,(H,23,25);1H3,(H,3,4)