3-[3-[6,7-bis(chloranyl)-3-oxidanylidene-4H-quinoxalin-2-yl]-6-phenylmethoxy-indol-1-yl]propylazanium ethanoate

Systemtic Name: 3-[3-[6,7-bis(chloranyl)-3-oxidanylidene-4H-quinoxalin-2-yl]-6-phenylmethoxy-indol-1-yl]propylazanium ethanoate Openeye Name: 3-[6-benzyloxy-3-(6,7-dichloro-3-oxo-4H-quinoxalin-2-yl)indol-1-yl]propylammonium acetate CAS Name: 3-[3-(6,7-dichloro-3-oxo-4H-quinoxalin-2-yl)-6-phenylmethoxy-1-indolyl]propylammonium acetate IUPAC Name: 3-[3-(6,7-dichloro-3-oxo-4H-quinoxalin-2-yl)-6-phenylmethoxyindol-1-yl]propylazanium acetate Traditional Name: 3-[6-benzoxy-3-(6,7-dichloro-3-keto-4H-quinoxalin-2-yl)indol-1-yl]propylammonium acetate Formula: C28H26Cl2N4O4 MolecularWeight: 553.43644

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)[O-].C1=CC=C(C=C1)COC2=CC3=C(C=C2)C(=CN3CCC[NH3+])C4=NC5=CC(=C(C=C5NC4=O)Cl)Cl

Isomeric SMILES

CC(=O)[O-].C1=CC=C(C=C1)COC2=CC3=C(C=C2)C(=CN3CCC[NH3+])C4=NC5=CC(=C(C=C5NC4=O)Cl)Cl

InChI

InChI=1S/C26H22Cl2N4O2.C2H4O2/c27-20-12-22-23(13-21(20)28)31-26(33)25(30-22)19-14-32(10-4-9-29)24-11-17(7-8-18(19)24)34-15-16-5-2-1-3-6-16;1-2(3)4/h1-3,5-8,11-14H,4,9-10,15,29H2,(H,31,33);1H3,(H,3,4)