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

Systemtic Name: 3-[3-(7-methoxy-3-oxidanylidene-4H-quinoxalin-2-yl)-2-methyl-indol-1-yl]propylazanium ethanoate Openeye Name: 3-[3-(7-methoxy-3-oxo-4H-quinoxalin-2-yl)-2-methyl-indol-1-yl]propylammonium acetate CAS Name: 3-[3-(7-methoxy-3-oxo-4H-quinoxalin-2-yl)-2-methyl-1-indolyl]propylammonium acetate IUPAC Name: 3-[3-(7-methoxy-3-oxo-4H-quinoxalin-2-yl)-2-methylindol-1-yl]propylazanium acetate Traditional Name: 3-[3-(3-keto-7-methoxy-4H-quinoxalin-2-yl)-2-methyl-indol-1-yl]propylammonium acetate Formula: C23H26N4O4 MolecularWeight: 422.47694

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=CC=CC=C2N1CCC[NH3+])C3=NC4=C(C=CC(=C4)OC)NC3=O.CC(=O)[O-]

Isomeric SMILES

CC1=C(C2=CC=CC=C2N1CCC[NH3+])C3=NC4=C(C=CC(=C4)OC)NC3=O.CC(=O)[O-]

InChI

InChI=1S/C21H22N4O2.C2H4O2/c1-13-19(15-6-3-4-7-18(15)25(13)11-5-10-22)20-21(26)24-16-9-8-14(27-2)12-17(16)23-20;1-2(3)4/h3-4,6-9,12H,5,10-11,22H2,1-2H3,(H,24,26);1H3,(H,3,4)