1-(2-fluorophenyl)sulfonyl-4-[2-(3-methyl-4-propan-2-yl-phenoxy)ethyl]piperazin-4-ium

Systemtic Name: 1-(2-fluorophenyl)sulfonyl-4-[2-(3-methyl-4-propan-2-yl-phenoxy)ethyl]piperazin-4-ium Openeye Name: 1-(2-fluorophenyl)sulfonyl-4-[2-(4-isopropyl-3-methyl-phenoxy)ethyl]piperazin-4-ium CAS Name: 1-(2-fluorophenyl)sulfonyl-4-[2-(3-methyl-4-propan-2-ylphenoxy)ethyl]piperazin-4-ium IUPAC Name: 1-(2-fluorophenyl)sulfonyl-4-[2-(3-methyl-4-propan-2-ylphenoxy)ethyl]piperazin-4-ium Traditional Name: 1-(2-fluorophenyl)sulfonyl-4-[2-(4-isopropyl-3-methyl-phenoxy)ethyl]piperazin-4-ium Formula: C22H30FN2O3S+ MolecularWeight: 421.548603

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H29FN2O3S/c1-17(2)20-9-8-19(16-18(20)3)28-15-14-24-10-12-25(13-11-24)29(26,27)22-7-5-4-6-21(22)23/h4-9,16-17H,10-15H2,1-3H3/p+1