3-[3-[6,7-bis(chloranyl)-4-methyl-3-oxidanylidene-quinoxalin-2-yl]-5-phenylmethoxy-indol-1-yl]propylazanium ethanoate

Systemtic Name: 3-[3-[6,7-bis(chloranyl)-4-methyl-3-oxidanylidene-quinoxalin-2-yl]-5-phenylmethoxy-indol-1-yl]propylazanium ethanoate Openeye Name: 3-[5-benzyloxy-3-(6,7-dichloro-4-methyl-3-oxo-quinoxalin-2-yl)indol-1-yl]propylammonium acetate CAS Name: 3-[3-(6,7-dichloro-4-methyl-3-oxo-2-quinoxalinyl)-5-phenylmethoxy-1-indolyl]propylammonium acetate IUPAC Name: 3-[3-(6,7-dichloro-4-methyl-3-oxoquinoxalin-2-yl)-5-phenylmethoxyindol-1-yl]propylazanium acetate Traditional Name: 3-[5-benzoxy-3-(6,7-dichloro-3-keto-4-methyl-quinoxalin-2-yl)indol-1-yl]propylammonium acetate Formula: C29H28Cl2N4O4 MolecularWeight: 567.46302

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)[O-].CN1C2=CC(=C(C=C2N=C(C1=O)C3=CN(C4=C3C=C(C=C4)OCC5=CC=CC=C5)CCC[NH3+])Cl)Cl

Isomeric SMILES

CC(=O)[O-].CN1C2=CC(=C(C=C2N=C(C1=O)C3=CN(C4=C3C=C(C=C4)OCC5=CC=CC=C5)CCC[NH3+])Cl)Cl

InChI

InChI=1S/C27H24Cl2N4O2.C2H4O2/c1-32-25-14-22(29)21(28)13-23(25)31-26(27(32)34)20-15-33(11-5-10-30)24-9-8-18(12-19(20)24)35-16-17-6-3-2-4-7-17;1-2(3)4/h2-4,6-9,12-15H,5,10-11,16,30H2,1H3;1H3,(H,3,4)