[(2-tert-butyl-4,5-dimethyl-cyclohexa-1,4-dien-1-yl)-phenyl-methylidene]-dimethyl-azanium; tris(fluoranyl)methanesulfonate

Systemtic Name: [(2-tert-butyl-4,5-dimethyl-cyclohexa-1,4-dien-1-yl)-phenyl-methylidene]-dimethyl-azanium; tris(fluoranyl)methanesulfonate Openeye Name: [(2-tert-butyl-4,5-dimethyl-cyclohexa-1,4-dien-1-yl)-phenyl-methylene]-dimethyl-ammonium; trifluoromethanesulfonate CAS Name: [(2-tert-butyl-4,5-dimethyl-1-cyclohexa-1,4-dienyl)-phenylmethylidene]-dimethylammonium; trifluoromethanesulfonate IUPAC Name: [(2-tert-butyl-4,5-dimethylcyclohexa-1,4-dien-1-yl)-phenylmethylidene]-dimethylazanium; trifluoromethanesulfonate Traditional Name: [(2-tert-butyl-4,5-dimethyl-cyclohexa-1,4-dien-1-yl)-phenyl-methylene]-dimethyl-ammonium triflate Formula: C22H30F3NO3S MolecularWeight: 445.53871

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(CC(=C(C1)C(=[N+](C)C)C2=CC=CC=C2)C(C)(C)C)C.C(F)(F)(F)S(=O)(=O)[O-]

Isomeric SMILES

CC1=C(CC(=C(C1)C(=[N+](C)C)C2=CC=CC=C2)C(C)(C)C)C.C(F)(F)(F)S(=O)(=O)[O-]

InChI

InChI=1S/C21H30N.CHF3O3S/c1-15-13-18(19(14-16(15)2)21(3,4)5)20(22(6)7)17-11-9-8-10-12-17;2-1(3,4)8(5,6)7/h8-12H,13-14H2,1-7H3;(H,5,6,7)/q+1;/p-1