2-(2,3-dimethylindolo[3,2-b]quinoxalin-6-yl)-N,N-dimethyl-ethanamine; 2-phosphonoethanoic acid

Systemtic Name: 2-(2,3-dimethylindolo[3,2-b]quinoxalin-6-yl)-N,N-dimethyl-ethanamine; 2-phosphonoethanoic acid Openeye Name: 2-(2,3-dimethylindolo[3,2-b]quinoxalin-6-yl)-N,N-dimethyl-ethanamine; 2-phosphonoacetic acid CAS Name: 2-(2,3-dimethyl-6-indolo[3,2-b]quinoxalinyl)-N,N-dimethylethanamine; 2-phosphonoacetic acid IUPAC Name: 2-(2,3-dimethylindolo[3,2-b]quinoxalin-6-yl)-N,N-dimethylethanamine; 2-phosphonoacetic acid Traditional Name: 2-(2,3-dimethylindolo[3,2-b]quinoxalin-6-yl)ethyl-dimethyl-amine; 2-phosphonoacetic acid Formula: C22H27N4O5P MolecularWeight: 458.447341

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1C)N=C3C(=N2)C4=CC=CC=C4N3CCN(C)C.C(C(=O)O)P(=O)(O)O

Isomeric SMILES

CC1=CC2=C(C=C1C)N=C3C(=N2)C4=CC=CC=C4N3CCN(C)C.C(C(=O)O)P(=O)(O)O

InChI

InChI=1S/C20H22N4.C2H5O5P/c1-13-11-16-17(12-14(13)2)22-20-19(21-16)15-7-5-6-8-18(15)24(20)10-9-23(3)4;3-2(4)1-8(5,6)7/h5-8,11-12H,9-10H2,1-4H3;1H2,(H,3,4)(H2,5,6,7)