[1-[4-(4-cyclohexylphenoxy)phenyl]-1-(trifluoromethylsulfonyl)-2H-pyridin-1-ium-5-yl]methanamine

Systemtic Name: [1-[4-(4-cyclohexylphenoxy)phenyl]-1-(trifluoromethylsulfonyl)-2H-pyridin-1-ium-5-yl]methanamine Openeye Name: [1-[4-(4-cyclohexylphenoxy)phenyl]-1-(trifluoromethylsulfonyl)-2H-pyridin-1-ium-5-yl]methanamine CAS Name: [1-[4-(4-cyclohexylphenoxy)phenyl]-1-(trifluoromethylsulfonyl)-2H-pyridin-1-ium-5-yl]methanamine IUPAC Name: [1-[4-(4-cyclohexylphenoxy)phenyl]-1-(trifluoromethylsulfonyl)-2H-pyridin-1-ium-5-yl]methanamine Traditional Name: [1-[4-(4-cyclohexylphenoxy)phenyl]-1-triflyl-2H-pyridin-1-ium-5-yl]methylamine Formula: C25H28F3N2O3S+ MolecularWeight: 493.56163

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)C2=CC=C(C=C2)OC3=CC=C(C=C3)[N+]4(CC=CC(=C4)CN)S(=O)(=O)C(F)(F)F

Isomeric SMILES

C1CCC(CC1)C2=CC=C(C=C2)OC3=CC=C(C=C3)[N+]4(CC=CC(=C4)CN)S(=O)(=O)C(F)(F)F

InChI

InChI=1S/C25H28F3N2O3S/c26-25(27,28)34(31,32)30(16-4-5-19(17-29)18-30)22-10-14-24(15-11-22)33-23-12-8-21(9-13-23)20-6-2-1-3-7-20/h4-5,8-15,18,20H,1-3,6-7,16-17,29H2/q+1