dimethyl-[3-[[3-[methyl-(4-methylphenyl)sulfonyl-amino]quinoxalin-4-ium-2-yl]amino]propyl]azanium

Systemtic Name: dimethyl-[3-[[3-[methyl-(4-methylphenyl)sulfonyl-amino]quinoxalin-4-ium-2-yl]amino]propyl]azanium Openeye Name: dimethyl-[3-[[3-[methyl(p-tolylsulfonyl)amino]quinoxalin-4-ium-2-yl]amino]propyl]ammonium CAS Name: dimethyl-[3-[[3-[methyl-(4-methylphenyl)sulfonylamino]-2-quinoxalin-4-iumyl]amino]propyl]ammonium IUPAC Name: dimethyl-[3-[[3-[methyl-(4-methylphenyl)sulfonylamino]quinoxalin-4-ium-2-yl]amino]propyl]azanium Traditional Name: dimethyl-[3-[[3-[methyl(tosyl)amino]quinoxalin-4-ium-2-yl]amino]propyl]ammonium Formula: C21H29N5O2S+2 MolecularWeight: 415.55226

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N(C)C2=[NH+]C3=CC=CC=C3N=C2NCCC[NH+](C)C

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N(C)C2=[NH+]C3=CC=CC=C3N=C2NCCC[NH+](C)C

InChI

InChI=1S/C21H27N5O2S/c1-16-10-12-17(13-11-16)29(27,28)26(4)21-20(22-14-7-15-25(2)3)23-18-8-5-6-9-19(18)24-21/h5-6,8-13H,7,14-15H2,1-4H3,(H,22,23)/p+2