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

Systemtic Name: 3-[5-azanyl-3-[6,7-bis(chloranyl)-3-oxidanylidene-4H-quinoxalin-2-yl]indol-1-yl]propylazanium ethanoate Openeye Name: 3-[5-amino-3-(6,7-dichloro-3-oxo-4H-quinoxalin-2-yl)indol-1-yl]propylammonium acetate CAS Name: 3-[5-amino-3-(6,7-dichloro-3-oxo-4H-quinoxalin-2-yl)-1-indolyl]propylammonium acetate IUPAC Name: 3-[5-amino-3-(6,7-dichloro-3-oxo-4H-quinoxalin-2-yl)indol-1-yl]propylazanium acetate Traditional Name: 3-[5-amino-3-(6,7-dichloro-3-keto-4H-quinoxalin-2-yl)indol-1-yl]propylammonium acetate Formula: C21H21Cl2N5O3 MolecularWeight: 462.32914

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)[O-].C1=CC2=C(C=C1N)C(=CN2CCC[NH3+])C3=NC4=CC(=C(C=C4NC3=O)Cl)Cl

Isomeric SMILES

CC(=O)[O-].C1=CC2=C(C=C1N)C(=CN2CCC[NH3+])C3=NC4=CC(=C(C=C4NC3=O)Cl)Cl

InChI

InChI=1S/C19H17Cl2N5O.C2H4O2/c20-13-7-15-16(8-14(13)21)25-19(27)18(24-15)12-9-26(5-1-4-22)17-3-2-10(23)6-11(12)17;1-2(3)4/h2-3,6-9H,1,4-5,22-23H2,(H,25,27);1H3,(H,3,4)