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

Systemtic Name: 1-(3-fluorophenyl)sulfonyl-4-[3-(3-methylphenoxy)propyl]piperazin-4-ium Openeye Name: 1-(3-fluorophenyl)sulfonyl-4-[3-(3-methylphenoxy)propyl]piperazin-4-ium CAS Name: 1-(3-fluorophenyl)sulfonyl-4-[3-(3-methylphenoxy)propyl]piperazin-4-ium IUPAC Name: 1-(3-fluorophenyl)sulfonyl-4-[3-(3-methylphenoxy)propyl]piperazin-4-ium Traditional Name: 1-(3-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(=C3)F

Isomeric SMILES

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

InChI

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