1-[2-(3,5-dimethylphenoxy)ethyl]-4-(4-fluorophenyl)sulfonyl-piperazin-1-ium

Systemtic Name: 1-[2-(3,5-dimethylphenoxy)ethyl]-4-(4-fluorophenyl)sulfonyl-piperazin-1-ium Openeye Name: 1-[2-(3,5-dimethylphenoxy)ethyl]-4-(4-fluorophenyl)sulfonyl-piperazin-1-ium CAS Name: 1-[2-(3,5-dimethylphenoxy)ethyl]-4-(4-fluorophenyl)sulfonylpiperazin-1-ium IUPAC Name: 1-[2-(3,5-dimethylphenoxy)ethyl]-4-(4-fluorophenyl)sulfonylpiperazin-1-ium Traditional Name: 1-[2-(3,5-dimethylphenoxy)ethyl]-4-(4-fluorophenyl)sulfonyl-piperazin-1-ium Formula: C20H26FN2O3S+ MolecularWeight: 393.495443

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)OCC[NH+]2CCN(CC2)S(=O)(=O)C3=CC=C(C=C3)F)C

Isomeric SMILES

CC1=CC(=CC(=C1)OCC[NH+]2CCN(CC2)S(=O)(=O)C3=CC=C(C=C3)F)C

InChI

InChI=1S/C20H25FN2O3S/c1-16-13-17(2)15-19(14-16)26-12-11-22-7-9-23(10-8-22)27(24,25)20-5-3-18(21)4-6-20/h3-6,13-15H,7-12H2,1-2H3/p+1