N-[(2R)-3-methyl-2-(4-methylpiperazine-1,4-diium-1-yl)butyl]-2-nitro-4-(trifluoromethylsulfonyl)aniline

Systemtic Name: N-[(2R)-3-methyl-2-(4-methylpiperazine-1,4-diium-1-yl)butyl]-2-nitro-4-(trifluoromethylsulfonyl)aniline Openeye Name: N-[(2R)-3-methyl-2-(4-methylpiperazine-1,4-diium-1-yl)butyl]-2-nitro-4-(trifluoromethylsulfonyl)aniline CAS Name: N-[(2R)-3-methyl-2-(4-methyl-1-piperazine-1,4-diiumyl)butyl]-2-nitro-4-(trifluoromethylsulfonyl)aniline IUPAC Name: N-[(2R)-3-methyl-2-(4-methylpiperazine-1,4-diium-1-yl)butyl]-2-nitro-4-(trifluoromethylsulfonyl)aniline Traditional Name: [(2R)-3-methyl-2-(4-methylpiperazine-1,4-diium-1-yl)butyl]-(2-nitro-4-triflyl-phenyl)amine Formula: C17H27F3N4O4S+2 MolecularWeight: 440.48089

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(CNC1=C(C=C(C=C1)S(=O)(=O)C(F)(F)F)[N+](=O)[O-])[NH+]2CC[NH+](CC2)C

Isomeric SMILES

CC(C)[C@H](CNC1=C(C=C(C=C1)S(=O)(=O)C(F)(F)F)[N+](=O)[O-])[NH+]2CC[NH+](CC2)C

InChI

InChI=1S/C17H25F3N4O4S/c1-12(2)16(23-8-6-22(3)7-9-23)11-21-14-5-4-13(10-15(14)24(25)26)29(27,28)17(18,19)20/h4-5,10,12,16,21H,6-9,11H2,1-3H3/p+2/t16-/m0/s1