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

Systemtic Name: 3-[3-(4,7-dimethyl-3-oxidanylidene-quinoxalin-2-yl)-2-methyl-indol-1-yl]propylazanium ethanoate Openeye Name: 3-[3-(4,7-dimethyl-3-oxo-quinoxalin-2-yl)-2-methyl-indol-1-yl]propylammonium acetate CAS Name: 3-[3-(4,7-dimethyl-3-oxo-2-quinoxalinyl)-2-methyl-1-indolyl]propylammonium acetate IUPAC Name: 3-[3-(4,7-dimethyl-3-oxoquinoxalin-2-yl)-2-methylindol-1-yl]propylazanium acetate Traditional Name: 3-[3-(3-keto-4,7-dimethyl-quinoxalin-2-yl)-2-methyl-indol-1-yl]propylammonium acetate Formula: C24H28N4O3 MolecularWeight: 420.50412

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H24N4O.C2H4O2/c1-14-9-10-19-17(13-14)24-21(22(27)25(19)3)20-15(2)26(12-6-11-23)18-8-5-4-7-16(18)20;1-2(3)4/h4-5,7-10,13H,6,11-12,23H2,1-3H3;1H3,(H,3,4)