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

Systemtic Name: 3-[3-[6,7-bis(chloranyl)-3-oxidanylidene-4H-quinoxalin-2-yl]indol-1-yl]propylazanium ethanoate Openeye Name: 3-[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)-1-indolyl]propylammonium acetate IUPAC Name: 3-[3-(6,7-dichloro-3-oxo-4H-quinoxalin-2-yl)indol-1-yl]propylazanium acetate Traditional Name: 3-[3-(6,7-dichloro-3-keto-4H-quinoxalin-2-yl)indol-1-yl]propylammonium acetate Formula: C21H20Cl2N4O3 MolecularWeight: 447.3145

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)[O-].C1=CC=C2C(=C1)C(=CN2CCC[NH3+])C3=NC4=CC(=C(C=C4NC3=O)Cl)Cl

Isomeric SMILES

CC(=O)[O-].C1=CC=C2C(=C1)C(=CN2CCC[NH3+])C3=NC4=CC(=C(C=C4NC3=O)Cl)Cl

InChI

InChI=1S/C19H16Cl2N4O.C2H4O2/c20-13-8-15-16(9-14(13)21)24-19(26)18(23-15)12-10-25(7-3-6-22)17-5-2-1-4-11(12)17;1-2(3)4/h1-2,4-5,8-10H,3,6-7,22H2,(H,24,26);1H3,(H,3,4)