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

Systemtic Name: 1-[(2-chloranyl-4-fluoranyl-phenyl)methyl]-4-(3,4-dimethoxyphenyl)sulfonyl-piperazin-1-ium Openeye Name: 1-[(2-chloro-4-fluoro-phenyl)methyl]-4-(3,4-dimethoxyphenyl)sulfonyl-piperazin-1-ium CAS Name: 1-[(2-chloro-4-fluorophenyl)methyl]-4-(3,4-dimethoxyphenyl)sulfonylpiperazin-1-ium IUPAC Name: 1-[(2-chloro-4-fluorophenyl)methyl]-4-(3,4-dimethoxyphenyl)sulfonylpiperazin-1-ium Traditional Name: 1-(2-chloro-4-fluoro-benzyl)-4-(3,4-dimethoxyphenyl)sulfonyl-piperazin-1-ium Formula: C19H23ClFN2O4S+ MolecularWeight: 429.913323

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)S(=O)(=O)N2CC[NH+](CC2)CC3=C(C=C(C=C3)F)Cl)OC

Isomeric SMILES

COC1=C(C=C(C=C1)S(=O)(=O)N2CC[NH+](CC2)CC3=C(C=C(C=C3)F)Cl)OC

InChI

InChI=1S/C19H22ClFN2O4S/c1-26-18-6-5-16(12-19(18)27-2)28(24,25)23-9-7-22(8-10-23)13-14-3-4-15(21)11-17(14)20/h3-6,11-12H,7-10,13H2,1-2H3/p+1