1-(5-chloranylthiophen-2-yl)sulfonyl-4-[(3-fluoranyl-4-methoxy-phenyl)methyl]piperazin-4-ium

Systemtic Name: 1-(5-chloranylthiophen-2-yl)sulfonyl-4-[(3-fluoranyl-4-methoxy-phenyl)methyl]piperazin-4-ium Openeye Name: 1-[(5-chloro-2-thienyl)sulfonyl]-4-[(3-fluoro-4-methoxy-phenyl)methyl]piperazin-4-ium CAS Name: 1-[(5-chloro-2-thiophenyl)sulfonyl]-4-[(3-fluoro-4-methoxyphenyl)methyl]piperazin-4-ium IUPAC Name: 1-(5-chlorothiophen-2-yl)sulfonyl-4-[(3-fluoro-4-methoxyphenyl)methyl]piperazin-4-ium Traditional Name: 1-[(5-chloro-2-thienyl)sulfonyl]-4-(3-fluoro-4-methoxy-benzyl)piperazin-4-ium Formula: C16H19ClFN2O3S2+ MolecularWeight: 405.915063

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C[NH+]2CCN(CC2)S(=O)(=O)C3=CC=C(S3)Cl)F

Isomeric SMILES

COC1=C(C=C(C=C1)C[NH+]2CCN(CC2)S(=O)(=O)C3=CC=C(S3)Cl)F

InChI

InChI=1S/C16H18ClFN2O3S2/c1-23-14-3-2-12(10-13(14)18)11-19-6-8-20(9-7-19)25(21,22)16-5-4-15(17)24-16/h2-5,10H,6-9,11H2,1H3/p+1