1-(3-fluorophenyl)sulfonyl-4-(2-phenoxyethyl)piperazin-4-ium

Systemtic Name: 1-(3-fluorophenyl)sulfonyl-4-(2-phenoxyethyl)piperazin-4-ium Openeye Name: 1-(3-fluorophenyl)sulfonyl-4-(2-phenoxyethyl)piperazin-4-ium CAS Name: 1-(3-fluorophenyl)sulfonyl-4-(2-phenoxyethyl)piperazin-4-ium IUPAC Name: 1-(3-fluorophenyl)sulfonyl-4-(2-phenoxyethyl)piperazin-4-ium Traditional Name: 1-(3-fluorophenyl)sulfonyl-4-(2-phenoxyethyl)piperazin-4-ium Formula: C18H22FN2O3S+ MolecularWeight: 365.442283

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CCOC2=CC=CC=C2)S(=O)(=O)C3=CC=CC(=C3)F

Isomeric SMILES

C1CN(CC[NH+]1CCOC2=CC=CC=C2)S(=O)(=O)C3=CC=CC(=C3)F

InChI

InChI=1S/C18H21FN2O3S/c19-16-5-4-8-18(15-16)25(22,23)21-11-9-20(10-12-21)13-14-24-17-6-2-1-3-7-17/h1-8,15H,9-14H2/p+1