1-(5-chloranylthiophen-2-yl)sulfonyl-4-[3-(4-fluoranylphenoxy)propyl]piperazin-4-ium

Systemtic Name: 1-(5-chloranylthiophen-2-yl)sulfonyl-4-[3-(4-fluoranylphenoxy)propyl]piperazin-4-ium Openeye Name: 1-[(5-chloro-2-thienyl)sulfonyl]-4-[3-(4-fluorophenoxy)propyl]piperazin-4-ium CAS Name: 1-[(5-chloro-2-thiophenyl)sulfonyl]-4-[3-(4-fluorophenoxy)propyl]piperazin-4-ium IUPAC Name: 1-(5-chlorothiophen-2-yl)sulfonyl-4-[3-(4-fluorophenoxy)propyl]piperazin-4-ium Traditional Name: 1-[(5-chloro-2-thienyl)sulfonyl]-4-[3-(4-fluorophenoxy)propyl]piperazin-4-ium Formula: C17H21ClFN2O3S2+ MolecularWeight: 419.941643

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CCCOC2=CC=C(C=C2)F)S(=O)(=O)C3=CC=C(S3)Cl

Isomeric SMILES

C1CN(CC[NH+]1CCCOC2=CC=C(C=C2)F)S(=O)(=O)C3=CC=C(S3)Cl

InChI

InChI=1S/C17H20ClFN2O3S2/c18-16-6-7-17(25-16)26(22,23)21-11-9-20(10-12-21)8-1-13-24-15-4-2-14(19)3-5-15/h2-7H,1,8-13H2/p+1