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

Systemtic Name: 3-[5-azanyl-3-(3-oxidanylidene-4H-quinoxalin-2-yl)indol-1-yl]propylazanium ethanoate Openeye Name: 3-[5-amino-3-(3-oxo-4H-quinoxalin-2-yl)indol-1-yl]propylammonium acetate CAS Name: 3-[5-amino-3-(3-oxo-4H-quinoxalin-2-yl)-1-indolyl]propylammonium acetate IUPAC Name: 3-[5-amino-3-(3-oxo-4H-quinoxalin-2-yl)indol-1-yl]propylazanium acetate Traditional Name: 3-[5-amino-3-(3-keto-4H-quinoxalin-2-yl)indol-1-yl]propylammonium acetate Formula: C21H23N5O3 MolecularWeight: 393.43902

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)[O-].C1=CC=C2C(=C1)NC(=O)C(=N2)C3=CN(C4=C3C=C(C=C4)N)CCC[NH3+]

Isomeric SMILES

CC(=O)[O-].C1=CC=C2C(=C1)NC(=O)C(=N2)C3=CN(C4=C3C=C(C=C4)N)CCC[NH3+]

InChI

InChI=1S/C19H19N5O.C2H4O2/c20-8-3-9-24-11-14(13-10-12(21)6-7-17(13)24)18-19(25)23-16-5-2-1-4-15(16)22-18;1-2(3)4/h1-2,4-7,10-11H,3,8-9,20-21H2,(H,23,25);1H3,(H,3,4)