3-[2-methyl-3-(7-methyl-3-oxidanylidene-4H-quinoxalin-2-yl)indol-1-yl]propylazanium ethanoate

Systemtic Name: 3-[2-methyl-3-(7-methyl-3-oxidanylidene-4H-quinoxalin-2-yl)indol-1-yl]propylazanium ethanoate Openeye Name: 3-[2-methyl-3-(7-methyl-3-oxo-4H-quinoxalin-2-yl)indol-1-yl]propylammonium acetate CAS Name: 3-[2-methyl-3-(7-methyl-3-oxo-4H-quinoxalin-2-yl)-1-indolyl]propylammonium acetate IUPAC Name: 3-[2-methyl-3-(7-methyl-3-oxo-4H-quinoxalin-2-yl)indol-1-yl]propylazanium acetate Traditional Name: 3-[3-(3-keto-7-methyl-4H-quinoxalin-2-yl)-2-methyl-indol-1-yl]propylammonium acetate Formula: C23H26N4O3 MolecularWeight: 406.47754

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)NC(=O)C(=N2)C3=C(N(C4=CC=CC=C43)CCC[NH3+])C.CC(=O)[O-]

Isomeric SMILES

CC1=CC2=C(C=C1)NC(=O)C(=N2)C3=C(N(C4=CC=CC=C43)CCC[NH3+])C.CC(=O)[O-]

InChI

InChI=1S/C21H22N4O.C2H4O2/c1-13-8-9-16-17(12-13)23-20(21(26)24-16)19-14(2)25(11-5-10-22)18-7-4-3-6-15(18)19;1-2(3)4/h3-4,6-9,12H,5,10-11,22H2,1-2H3,(H,24,26);1H3,(H,3,4)