2-tert-butyl-4-phenyl-1-propyl-5,6-dihydrobenzo[h]quinolin-1-ium; tris(fluoranyl)methanesulfonate

Systemtic Name: 2-tert-butyl-4-phenyl-1-propyl-5,6-dihydrobenzo[h]quinolin-1-ium; tris(fluoranyl)methanesulfonate Openeye Name: 2-tert-butyl-4-phenyl-1-propyl-5,6-dihydrobenzo[h]quinolin-1-ium; trifluoromethanesulfonate CAS Name: 2-tert-butyl-4-phenyl-1-propyl-5,6-dihydrobenzo[h]quinolin-1-ium; trifluoromethanesulfonate IUPAC Name: 2-tert-butyl-4-phenyl-1-propyl-5,6-dihydrobenzo[h]quinolin-1-ium; trifluoromethanesulfonate Traditional Name: 2-tert-butyl-4-phenyl-1-propyl-5,6-dihydrobenzo[h]quinolin-1-ium triflate Formula: C27H30F3NO3S MolecularWeight: 505.59221

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Descriptors Computed from Structure

Canonical SMILES:

CCC[N+]1=C(C=C(C2=C1C3=CC=CC=C3CC2)C4=CC=CC=C4)C(C)(C)C.C(F)(F)(F)S(=O)(=O)[O-]

Isomeric SMILES

CCC[N+]1=C(C=C(C2=C1C3=CC=CC=C3CC2)C4=CC=CC=C4)C(C)(C)C.C(F)(F)(F)S(=O)(=O)[O-]

InChI

InChI=1S/C26H30N.CHF3O3S/c1-5-17-27-24(26(2,3)4)18-23(19-11-7-6-8-12-19)22-16-15-20-13-9-10-14-21(20)25(22)27;2-1(3,4)8(5,6)7/h6-14,18H,5,15-17H2,1-4H3;(H,5,6,7)/q+1;/p-1