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

Systemtic Name: 3-[2-(4-chlorophenyl)-3-(7-methoxy-3-oxidanylidene-4H-quinoxalin-2-yl)indol-1-yl]propylazanium ethanoate Openeye Name: 3-[2-(4-chlorophenyl)-3-(7-methoxy-3-oxo-4H-quinoxalin-2-yl)indol-1-yl]propylammonium acetate CAS Name: 3-[2-(4-chlorophenyl)-3-(7-methoxy-3-oxo-4H-quinoxalin-2-yl)-1-indolyl]propylammonium acetate IUPAC Name: 3-[2-(4-chlorophenyl)-3-(7-methoxy-3-oxo-4H-quinoxalin-2-yl)indol-1-yl]propylazanium acetate Traditional Name: 3-[2-(4-chlorophenyl)-3-(3-keto-7-methoxy-4H-quinoxalin-2-yl)indol-1-yl]propylammonium acetate Formula: C28H27ClN4O4 MolecularWeight: 518.99138

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)[O-].COC1=CC2=C(C=C1)NC(=O)C(=N2)C3=C(N(C4=CC=CC=C43)CCC[NH3+])C5=CC=C(C=C5)Cl

Isomeric SMILES

CC(=O)[O-].COC1=CC2=C(C=C1)NC(=O)C(=N2)C3=C(N(C4=CC=CC=C43)CCC[NH3+])C5=CC=C(C=C5)Cl

InChI

InChI=1S/C26H23ClN4O2.C2H4O2/c1-33-18-11-12-20-21(15-18)29-24(26(32)30-20)23-19-5-2-3-6-22(19)31(14-4-13-28)25(23)16-7-9-17(27)10-8-16;1-2(3)4/h2-3,5-12,15H,4,13-14,28H2,1H3,(H,30,32);1H3,(H,3,4)