4-(4-methylpiperazin-4-ium-1-yl)sulfonyl-2-nitro-N-[[3-(trifluoromethyl)phenyl]methyl]aniline

Systemtic Name: 4-(4-methylpiperazin-4-ium-1-yl)sulfonyl-2-nitro-N-[[3-(trifluoromethyl)phenyl]methyl]aniline Openeye Name: 4-(4-methylpiperazin-4-ium-1-yl)sulfonyl-2-nitro-N-[[3-(trifluoromethyl)phenyl]methyl]aniline CAS Name: 4-[(4-methyl-1-piperazin-4-iumyl)sulfonyl]-2-nitro-N-[[3-(trifluoromethyl)phenyl]methyl]aniline IUPAC Name: 4-(4-methylpiperazin-4-ium-1-yl)sulfonyl-2-nitro-N-[[3-(trifluoromethyl)phenyl]methyl]aniline Traditional Name: [4-(4-methylpiperazin-4-ium-1-yl)sulfonyl-2-nitro-phenyl]-[3-(trifluoromethyl)benzyl]amine Formula: C19H22F3N4O4S+ MolecularWeight: 459.46259

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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=C3)C(F)(F)F)[N+](=O)[O-]

Isomeric SMILES

C[NH+]1CCN(CC1)S(=O)(=O)C2=CC(=C(C=C2)NCC3=CC(=CC=C3)C(F)(F)F)[N+](=O)[O-]

InChI

InChI=1S/C19H21F3N4O4S/c1-24-7-9-25(10-8-24)31(29,30)16-5-6-17(18(12-16)26(27)28)23-13-14-3-2-4-15(11-14)19(20,21)22/h2-6,11-12,23H,7-10,13H2,1H3/p+1