1-(2-phenoxyethyl)-4-[4-(trifluoromethyl)phenyl]sulfonyl-piperazin-1-ium

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

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CCOC2=CC=CC=C2)S(=O)(=O)C3=CC=C(C=C3)C(F)(F)F

Isomeric SMILES

C1CN(CC[NH+]1CCOC2=CC=CC=C2)S(=O)(=O)C3=CC=C(C=C3)C(F)(F)F

InChI

InChI=1S/C19H21F3N2O3S/c20-19(21,22)16-6-8-18(9-7-16)28(25,26)24-12-10-23(11-13-24)14-15-27-17-4-2-1-3-5-17/h1-9H,10-15H2/p+1