1-(2-fluorophenyl)sulfonyl-4-[3-(3-methylphenoxy)propyl]piperazin-4-ium

Systemtic Name: 1-(2-fluorophenyl)sulfonyl-4-[3-(3-methylphenoxy)propyl]piperazin-4-ium Openeye Name: 1-(2-fluorophenyl)sulfonyl-4-[3-(3-methylphenoxy)propyl]piperazin-4-ium CAS Name: 1-(2-fluorophenyl)sulfonyl-4-[3-(3-methylphenoxy)propyl]piperazin-4-ium IUPAC Name: 1-(2-fluorophenyl)sulfonyl-4-[3-(3-methylphenoxy)propyl]piperazin-4-ium Traditional Name: 1-(2-fluorophenyl)sulfonyl-4-[3-(3-methylphenoxy)propyl]piperazin-4-ium Formula: C20H26FN2O3S+ MolecularWeight: 393.495443

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)OCCC[NH+]2CCN(CC2)S(=O)(=O)C3=CC=CC=C3F

Isomeric SMILES

CC1=CC(=CC=C1)OCCC[NH+]2CCN(CC2)S(=O)(=O)C3=CC=CC=C3F

InChI

InChI=1S/C20H25FN2O3S/c1-17-6-4-7-18(16-17)26-15-5-10-22-11-13-23(14-12-22)27(24,25)20-9-3-2-8-19(20)21/h2-4,6-9,16H,5,10-15H2,1H3/p+1