4-(4-methylpiperazin-4-ium-1-yl)sulfonyl-2-nitro-N-[[2-(trifluoromethyloxy)phenyl]methyl]aniline

Systemtic Name: 4-(4-methylpiperazin-4-ium-1-yl)sulfonyl-2-nitro-N-[[2-(trifluoromethyloxy)phenyl]methyl]aniline Openeye Name: 4-(4-methylpiperazin-4-ium-1-yl)sulfonyl-2-nitro-N-[[2-(trifluoromethoxy)phenyl]methyl]aniline CAS Name: 4-[(4-methyl-1-piperazin-4-iumyl)sulfonyl]-2-nitro-N-[[2-(trifluoromethoxy)phenyl]methyl]aniline IUPAC Name: 4-(4-methylpiperazin-4-ium-1-yl)sulfonyl-2-nitro-N-[[2-(trifluoromethoxy)phenyl]methyl]aniline Traditional Name: [4-(4-methylpiperazin-4-ium-1-yl)sulfonyl-2-nitro-phenyl]-[2-(trifluoromethoxy)benzyl]amine Formula: C19H22F3N4O5S+ MolecularWeight: 475.46199

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCN(CC1)S(=O)(=O)C2=CC(=C(C=C2)NCC3=CC=CC=C3OC(F)(F)F)[N+](=O)[O-]

Isomeric SMILES

C[NH+]1CCN(CC1)S(=O)(=O)C2=CC(=C(C=C2)NCC3=CC=CC=C3OC(F)(F)F)[N+](=O)[O-]

InChI

InChI=1S/C19H21F3N4O5S/c1-24-8-10-25(11-9-24)32(29,30)15-6-7-16(17(12-15)26(27)28)23-13-14-4-2-3-5-18(14)31-19(20,21)22/h2-7,12,23H,8-11,13H2,1H3/p+1