[4-(4-fluorophenyl)-5-methyl-2-propan-2-yl-1H-pyrrol-3-yl]methyl-trimethyl-azanium; tris(fluoranyl)methanesulfonate

Systemtic Name: [4-(4-fluorophenyl)-5-methyl-2-propan-2-yl-1H-pyrrol-3-yl]methyl-trimethyl-azanium; tris(fluoranyl)methanesulfonate Openeye Name: [4-(4-fluorophenyl)-2-isopropyl-5-methyl-1H-pyrrol-3-yl]methyl-trimethyl-ammonium; trifluoromethanesulfonate CAS Name: [4-(4-fluorophenyl)-5-methyl-2-propan-2-yl-1H-pyrrol-3-yl]methyl-trimethylammonium; trifluoromethanesulfonate IUPAC Name: [4-(4-fluorophenyl)-5-methyl-2-propan-2-yl-1H-pyrrol-3-yl]methyl-trimethylazanium; trifluoromethanesulfonate Traditional Name: [4-(4-fluorophenyl)-2-isopropyl-5-methyl-1H-pyrrol-3-yl]methyl-trimethyl-ammonium triflate Formula: C19H26F4N2O3S MolecularWeight: 438.479953

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=C(N1)C(C)C)C[N+](C)(C)C)C2=CC=C(C=C2)F.C(F)(F)(F)S(=O)(=O)[O-]

Isomeric SMILES

CC1=C(C(=C(N1)C(C)C)C[N+](C)(C)C)C2=CC=C(C=C2)F.C(F)(F)(F)S(=O)(=O)[O-]

InChI

InChI=1S/C18H26FN2.CHF3O3S/c1-12(2)18-16(11-21(4,5)6)17(13(3)20-18)14-7-9-15(19)10-8-14;2-1(3,4)8(5,6)7/h7-10,12,20H,11H2,1-6H3;(H,5,6,7)/q+1;/p-1