3-[2-(4-chlorophenyl)-3-(5-methyl-3-oxidanylidene-4H-quinoxalin-2-yl)indol-1-yl]propylazanium ethanoate

Systemtic Name: 3-[2-(4-chlorophenyl)-3-(5-methyl-3-oxidanylidene-4H-quinoxalin-2-yl)indol-1-yl]propylazanium ethanoate Openeye Name: 3-[2-(4-chlorophenyl)-3-(5-methyl-3-oxo-4H-quinoxalin-2-yl)indol-1-yl]propylammonium acetate CAS Name: 3-[2-(4-chlorophenyl)-3-(5-methyl-3-oxo-4H-quinoxalin-2-yl)-1-indolyl]propylammonium acetate IUPAC Name: 3-[2-(4-chlorophenyl)-3-(5-methyl-3-oxo-4H-quinoxalin-2-yl)indol-1-yl]propylazanium acetate Traditional Name: 3-[2-(4-chlorophenyl)-3-(3-keto-5-methyl-4H-quinoxalin-2-yl)indol-1-yl]propylammonium acetate Formula: C28H27ClN4O3 MolecularWeight: 502.99198

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C2C(=CC=C1)N=C(C(=O)N2)C3=C(N(C4=CC=CC=C43)CCC[NH3+])C5=CC=C(C=C5)Cl.CC(=O)[O-]

Isomeric SMILES

CC1=C2C(=CC=C1)N=C(C(=O)N2)C3=C(N(C4=CC=CC=C43)CCC[NH3+])C5=CC=C(C=C5)Cl.CC(=O)[O-]

InChI

InChI=1S/C26H23ClN4O.C2H4O2/c1-16-6-4-8-20-23(16)30-26(32)24(29-20)22-19-7-2-3-9-21(19)31(15-5-14-28)25(22)17-10-12-18(27)13-11-17;1-2(3)4/h2-4,6-13H,5,14-15,28H2,1H3,(H,30,32);1H3,(H,3,4)