1-[2,6-bis(fluoranyl)phenyl]sulfonyl-4-(2-phenoxyethyl)piperazin-4-ium

Systemtic Name: 1-[2,6-bis(fluoranyl)phenyl]sulfonyl-4-(2-phenoxyethyl)piperazin-4-ium Openeye Name: 1-(2,6-difluorophenyl)sulfonyl-4-(2-phenoxyethyl)piperazin-4-ium CAS Name: 1-(2,6-difluorophenyl)sulfonyl-4-(2-phenoxyethyl)piperazin-4-ium IUPAC Name: 1-(2,6-difluorophenyl)sulfonyl-4-(2-phenoxyethyl)piperazin-4-ium Traditional Name: 1-(2,6-difluorophenyl)sulfonyl-4-(2-phenoxyethyl)piperazin-4-ium Formula: C18H21F2N2O3S+ MolecularWeight: 383.432746

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CCOC2=CC=CC=C2)S(=O)(=O)C3=C(C=CC=C3F)F

Isomeric SMILES

C1CN(CC[NH+]1CCOC2=CC=CC=C2)S(=O)(=O)C3=C(C=CC=C3F)F

InChI

InChI=1S/C18H20F2N2O3S/c19-16-7-4-8-17(20)18(16)26(23,24)22-11-9-21(10-12-22)13-14-25-15-5-2-1-3-6-15/h1-8H,9-14H2/p+1