1-[6-[2-[2,4-bis(fluoranyl)phenyl]ethyl]-2-methoxy-3,3-dimethyl-cyclohexyl]-1-methyl-1,2,4-triazol-1-ium

Systemtic Name: 1-[6-[2-[2,4-bis(fluoranyl)phenyl]ethyl]-2-methoxy-3,3-dimethyl-cyclohexyl]-1-methyl-1,2,4-triazol-1-ium Openeye Name: 1-[6-[2-(2,4-difluorophenyl)ethyl]-2-methoxy-3,3-dimethyl-cyclohexyl]-1-methyl-1,2,4-triazol-1-ium CAS Name: 1-[6-[2-(2,4-difluorophenyl)ethyl]-2-methoxy-3,3-dimethylcyclohexyl]-1-methyl-1,2,4-triazol-1-ium IUPAC Name: 1-[6-[2-(2,4-difluorophenyl)ethyl]-2-methoxy-3,3-dimethylcyclohexyl]-1-methyl-1,2,4-triazol-1-ium Traditional Name: 1-[6-[2-(2,4-difluorophenyl)ethyl]-2-methoxy-3,3-dimethyl-cyclohexyl]-1-methyl-1,2,4-triazol-1-ium Formula: C20H28F2N3O+ MolecularWeight: 364.452626

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CCC(C(C1OC)[N+]2(C=NC=N2)C)CCC3=C(C=C(C=C3)F)F)C

Isomeric SMILES

CC1(CCC(C(C1OC)[N+]2(C=NC=N2)C)CCC3=C(C=C(C=C3)F)F)C

InChI

InChI=1S/C20H28F2N3O/c1-20(2)10-9-15(6-5-14-7-8-16(21)11-17(14)22)18(19(20)26-4)25(3)13-23-12-24-25/h7-8,11-13,15,18-19H,5-6,9-10H2,1-4H3/q+1