3-[2-azanyl-3-(phenylsulfonyl)pyrrolo[3,2-b]quinoxalin-1-yl]propyl-dimethyl-azanium

Systemtic Name: 3-[2-azanyl-3-(phenylsulfonyl)pyrrolo[3,2-b]quinoxalin-1-yl]propyl-dimethyl-azanium Openeye Name: 3-[2-amino-3-(benzenesulfonyl)pyrrolo[3,2-b]quinoxalin-1-yl]propyl-dimethyl-ammonium CAS Name: 3-[2-amino-3-(benzenesulfonyl)-1-pyrrolo[3,2-b]quinoxalinyl]propyl-dimethylammonium IUPAC Name: 3-[2-amino-3-(benzenesulfonyl)pyrrolo[3,2-b]quinoxalin-1-yl]propyl-dimethylazanium Traditional Name: 3-(2-amino-3-besyl-pyrrolo[3,2-b]quinoxalin-1-yl)propyl-dimethyl-ammonium Formula: C21H24N5O2S+ MolecularWeight: 410.51256

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](C)CCCN1C(=C(C2=NC3=CC=CC=C3N=C21)S(=O)(=O)C4=CC=CC=C4)N

Isomeric SMILES

C[NH+](C)CCCN1C(=C(C2=NC3=CC=CC=C3N=C21)S(=O)(=O)C4=CC=CC=C4)N

InChI

InChI=1S/C21H23N5O2S/c1-25(2)13-8-14-26-20(22)19(29(27,28)15-9-4-3-5-10-15)18-21(26)24-17-12-7-6-11-16(17)23-18/h3-7,9-12H,8,13-14,22H2,1-2H3/p+1