2-[2-azanyl-3-(4-fluorophenyl)sulfonyl-pyrrolo[3,2-b]quinoxalin-1-yl]ethyl-dimethyl-azanium

Systemtic Name: 2-[2-azanyl-3-(4-fluorophenyl)sulfonyl-pyrrolo[3,2-b]quinoxalin-1-yl]ethyl-dimethyl-azanium Openeye Name: 2-[2-amino-3-(4-fluorophenyl)sulfonyl-pyrrolo[3,2-b]quinoxalin-1-yl]ethyl-dimethyl-ammonium CAS Name: 2-[2-amino-3-(4-fluorophenyl)sulfonyl-1-pyrrolo[3,2-b]quinoxalinyl]ethyl-dimethylammonium IUPAC Name: 2-[2-amino-3-(4-fluorophenyl)sulfonylpyrrolo[3,2-b]quinoxalin-1-yl]ethyl-dimethylazanium Traditional Name: 2-[2-amino-3-(4-fluorophenyl)sulfonyl-pyrrolo[3,2-b]quinoxalin-1-yl]ethyl-dimethyl-ammonium Formula: C20H21FN5O2S+ MolecularWeight: 414.476443

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](C)CCN1C(=C(C2=NC3=CC=CC=C3N=C21)S(=O)(=O)C4=CC=C(C=C4)F)N

Isomeric SMILES

C[NH+](C)CCN1C(=C(C2=NC3=CC=CC=C3N=C21)S(=O)(=O)C4=CC=C(C=C4)F)N

InChI

InChI=1S/C20H20FN5O2S/c1-25(2)11-12-26-19(22)18(29(27,28)14-9-7-13(21)8-10-14)17-20(26)24-16-6-4-3-5-15(16)23-17/h3-10H,11-12,22H2,1-2H3/p+1