1-(2,5-dimethylphenyl)sulfonyl-4-[2-(2-fluoranylphenoxy)ethyl]piperazin-4-ium

Systemtic Name: 1-(2,5-dimethylphenyl)sulfonyl-4-[2-(2-fluoranylphenoxy)ethyl]piperazin-4-ium Openeye Name: 1-(2,5-dimethylphenyl)sulfonyl-4-[2-(2-fluorophenoxy)ethyl]piperazin-4-ium CAS Name: 1-(2,5-dimethylphenyl)sulfonyl-4-[2-(2-fluorophenoxy)ethyl]piperazin-4-ium IUPAC Name: 1-(2,5-dimethylphenyl)sulfonyl-4-[2-(2-fluorophenoxy)ethyl]piperazin-4-ium Traditional Name: 1-(2,5-dimethylphenyl)sulfonyl-4-[2-(2-fluorophenoxy)ethyl]piperazin-4-ium Formula: C20H26FN2O3S+ MolecularWeight: 393.495443

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)S(=O)(=O)N2CC[NH+](CC2)CCOC3=CC=CC=C3F

Isomeric SMILES

CC1=CC(=C(C=C1)C)S(=O)(=O)N2CC[NH+](CC2)CCOC3=CC=CC=C3F

InChI

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