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

Systemtic Name: 3-[2-azanyl-3-(4-methylphenyl)sulfonyl-pyrrolo[3,2-b]quinoxalin-1-yl]propyl-dimethyl-azanium Openeye Name: 3-[2-amino-3-(p-tolylsulfonyl)pyrrolo[3,2-b]quinoxalin-1-yl]propyl-dimethyl-ammonium CAS Name: 3-[2-amino-3-(4-methylphenyl)sulfonyl-1-pyrrolo[3,2-b]quinoxalinyl]propyl-dimethylammonium IUPAC Name: 3-[2-amino-3-(4-methylphenyl)sulfonylpyrrolo[3,2-b]quinoxalin-1-yl]propyl-dimethylazanium Traditional Name: 3-(2-amino-3-tosyl-pyrrolo[3,2-b]quinoxalin-1-yl)propyl-dimethyl-ammonium Formula: C22H26N5O2S+ MolecularWeight: 424.53914

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)C2=C(N(C3=NC4=CC=CC=C4N=C23)CCC[NH+](C)C)N

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)C2=C(N(C3=NC4=CC=CC=C4N=C23)CCC[NH+](C)C)N

InChI

InChI=1S/C22H25N5O2S/c1-15-9-11-16(12-10-15)30(28,29)20-19-22(25-18-8-5-4-7-17(18)24-19)27(21(20)23)14-6-13-26(2)3/h4-5,7-12H,6,13-14,23H2,1-3H3/p+1