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

Systemtic Name: 3-[2-(4-chlorophenyl)-3-(3-oxidanylidene-4H-quinoxalin-2-yl)indol-1-yl]propylazanium ethanoate Openeye Name: 3-[2-(4-chlorophenyl)-3-(3-oxo-4H-quinoxalin-2-yl)indol-1-yl]propylammonium acetate CAS Name: 3-[2-(4-chlorophenyl)-3-(3-oxo-4H-quinoxalin-2-yl)-1-indolyl]propylammonium acetate IUPAC Name: 3-[2-(4-chlorophenyl)-3-(3-oxo-4H-quinoxalin-2-yl)indol-1-yl]propylazanium acetate Traditional Name: 3-[2-(4-chlorophenyl)-3-(3-keto-4H-quinoxalin-2-yl)indol-1-yl]propylammonium acetate Formula: C27H25ClN4O3 MolecularWeight: 488.9654

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)[O-].C1=CC=C2C(=C1)C(=C(N2CCC[NH3+])C3=CC=C(C=C3)Cl)C4=NC5=CC=CC=C5NC4=O

Isomeric SMILES

CC(=O)[O-].C1=CC=C2C(=C1)C(=C(N2CCC[NH3+])C3=CC=C(C=C3)Cl)C4=NC5=CC=CC=C5NC4=O

InChI

InChI=1S/C25H21ClN4O.C2H4O2/c26-17-12-10-16(11-13-17)24-22(18-6-1-4-9-21(18)30(24)15-5-14-27)23-25(31)29-20-8-3-2-7-19(20)28-23;1-2(3)4/h1-4,6-13H,5,14-15,27H2,(H,29,31);1H3,(H,3,4)