(3-butyl-2-ethylsulfonyl-imidazol-4-yl)methyl-methyl-[[3-(trifluoromethyl)phenyl]methyl]azanium

Systemtic Name: (3-butyl-2-ethylsulfonyl-imidazol-4-yl)methyl-methyl-[[3-(trifluoromethyl)phenyl]methyl]azanium Openeye Name: (3-butyl-2-ethylsulfonyl-imidazol-4-yl)methyl-methyl-[[3-(trifluoromethyl)phenyl]methyl]ammonium CAS Name: (3-butyl-2-ethylsulfonyl-4-imidazolyl)methyl-methyl-[[3-(trifluoromethyl)phenyl]methyl]ammonium IUPAC Name: (3-butyl-2-ethylsulfonylimidazol-4-yl)methyl-methyl-[[3-(trifluoromethyl)phenyl]methyl]azanium Traditional Name: (3-butyl-2-esyl-imidazol-4-yl)methyl-methyl-[3-(trifluoromethyl)benzyl]ammonium Formula: C19H27F3N3O2S+ MolecularWeight: 418.49679

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=CN=C1S(=O)(=O)CC)C[NH+](C)CC2=CC(=CC=C2)C(F)(F)F

Isomeric SMILES

CCCCN1C(=CN=C1S(=O)(=O)CC)C[NH+](C)CC2=CC(=CC=C2)C(F)(F)F

InChI

InChI=1S/C19H26F3N3O2S/c1-4-6-10-25-17(12-23-18(25)28(26,27)5-2)14-24(3)13-15-8-7-9-16(11-15)19(20,21)22/h7-9,11-12H,4-6,10,13-14H2,1-3H3/p+1