1-[5-[bis(fluoranyl)methoxy]-2-methyl-phenyl]sulfonyl-4-(2-pyridin-4-ylethyl)piperazin-4-ium

Systemtic Name: 1-[5-[bis(fluoranyl)methoxy]-2-methyl-phenyl]sulfonyl-4-(2-pyridin-4-ylethyl)piperazin-4-ium Openeye Name: 1-[5-(difluoromethoxy)-2-methyl-phenyl]sulfonyl-4-[2-(4-pyridyl)ethyl]piperazin-4-ium CAS Name: 1-[5-(difluoromethoxy)-2-methylphenyl]sulfonyl-4-(2-pyridin-4-ylethyl)piperazin-4-ium IUPAC Name: 1-[5-(difluoromethoxy)-2-methylphenyl]sulfonyl-4-(2-pyridin-4-ylethyl)piperazin-4-ium Traditional Name: 1-[5-(difluoromethoxy)-2-methyl-phenyl]sulfonyl-4-[2-(4-pyridyl)ethyl]piperazin-4-ium Formula: C19H24F2N3O3S+ MolecularWeight: 412.473966

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)OC(F)F)S(=O)(=O)N2CC[NH+](CC2)CCC3=CC=NC=C3

Isomeric SMILES

CC1=C(C=C(C=C1)OC(F)F)S(=O)(=O)N2CC[NH+](CC2)CCC3=CC=NC=C3

InChI

InChI=1S/C19H23F2N3O3S/c1-15-2-3-17(27-19(20)21)14-18(15)28(25,26)24-12-10-23(11-13-24)9-6-16-4-7-22-8-5-16/h2-5,7-8,14,19H,6,9-13H2,1H3/p+1