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

Systemtic Name: 1-(4-chloranyl-2-fluoranyl-phenyl)sulfonyl-4-[(3-fluoranyl-4-methoxy-phenyl)methyl]piperazin-4-ium Openeye Name: 1-(4-chloro-2-fluoro-phenyl)sulfonyl-4-[(3-fluoro-4-methoxy-phenyl)methyl]piperazin-4-ium CAS Name: 1-(4-chloro-2-fluorophenyl)sulfonyl-4-[(3-fluoro-4-methoxyphenyl)methyl]piperazin-4-ium IUPAC Name: 1-(4-chloro-2-fluorophenyl)sulfonyl-4-[(3-fluoro-4-methoxyphenyl)methyl]piperazin-4-ium Traditional Name: 1-(4-chloro-2-fluoro-phenyl)sulfonyl-4-(3-fluoro-4-methoxy-benzyl)piperazin-4-ium Formula: C18H20ClF2N2O3S+ MolecularWeight: 417.877806

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H19ClF2N2O3S/c1-26-17-4-2-13(10-15(17)20)12-22-6-8-23(9-7-22)27(24,25)18-5-3-14(19)11-16(18)21/h2-5,10-11H,6-9,12H2,1H3/p+1