1-[(2-methoxyphenyl)methyl]-4-[3-(trifluoromethyl)phenyl]sulfonyl-piperazin-1-ium

Systemtic Name: 1-[(2-methoxyphenyl)methyl]-4-[3-(trifluoromethyl)phenyl]sulfonyl-piperazin-1-ium Openeye Name: 1-[(2-methoxyphenyl)methyl]-4-[3-(trifluoromethyl)phenyl]sulfonyl-piperazin-1-ium CAS Name: 1-[(2-methoxyphenyl)methyl]-4-[3-(trifluoromethyl)phenyl]sulfonylpiperazin-1-ium IUPAC Name: 1-[(2-methoxyphenyl)methyl]-4-[3-(trifluoromethyl)phenyl]sulfonylpiperazin-1-ium Traditional Name: 1-o-anisyl-4-[3-(trifluoromethyl)phenyl]sulfonyl-piperazin-1-ium Formula: C19H22F3N2O3S+ MolecularWeight: 415.44979

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1C[NH+]2CCN(CC2)S(=O)(=O)C3=CC=CC(=C3)C(F)(F)F

Isomeric SMILES

COC1=CC=CC=C1C[NH+]2CCN(CC2)S(=O)(=O)C3=CC=CC(=C3)C(F)(F)F

InChI

InChI=1S/C19H21F3N2O3S/c1-27-18-8-3-2-5-15(18)14-23-9-11-24(12-10-23)28(25,26)17-7-4-6-16(13-17)19(20,21)22/h2-8,13H,9-12,14H2,1H3/p+1