1-[(4-ethoxyphenyl)methyl]-4-[2-(trifluoromethylsulfonyl)phenyl]piperazin-1-ium

Systemtic Name: 1-[(4-ethoxyphenyl)methyl]-4-[2-(trifluoromethylsulfonyl)phenyl]piperazin-1-ium Openeye Name: 1-[(4-ethoxyphenyl)methyl]-4-[2-(trifluoromethylsulfonyl)phenyl]piperazin-1-ium CAS Name: 1-[(4-ethoxyphenyl)methyl]-4-[2-(trifluoromethylsulfonyl)phenyl]piperazin-1-ium IUPAC Name: 1-[(4-ethoxyphenyl)methyl]-4-[2-(trifluoromethylsulfonyl)phenyl]piperazin-1-ium Traditional Name: 1-(4-ethoxybenzyl)-4-(2-triflylphenyl)piperazin-1-ium Formula: C20H24F3N2O3S+ MolecularWeight: 429.47637

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)C[NH+]2CCN(CC2)C3=CC=CC=C3S(=O)(=O)C(F)(F)F

Isomeric SMILES

CCOC1=CC=C(C=C1)C[NH+]2CCN(CC2)C3=CC=CC=C3S(=O)(=O)C(F)(F)F

InChI

InChI=1S/C20H23F3N2O3S/c1-2-28-17-9-7-16(8-10-17)15-24-11-13-25(14-12-24)18-5-3-4-6-19(18)29(26,27)20(21,22)23/h3-10H,2,11-15H2,1H3/p+1