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

Systemtic Name: 1-[(3-chloranyl-4-fluoranyl-phenyl)methyl]-4-(4-methoxyphenyl)sulfonyl-piperazin-1-ium Openeye Name: 1-[(3-chloro-4-fluoro-phenyl)methyl]-4-(4-methoxyphenyl)sulfonyl-piperazin-1-ium CAS Name: 1-[(3-chloro-4-fluorophenyl)methyl]-4-(4-methoxyphenyl)sulfonylpiperazin-1-ium IUPAC Name: 1-[(3-chloro-4-fluorophenyl)methyl]-4-(4-methoxyphenyl)sulfonylpiperazin-1-ium Traditional Name: 1-(3-chloro-4-fluoro-benzyl)-4-(4-methoxyphenyl)sulfonyl-piperazin-1-ium Formula: C18H21ClFN2O3S+ MolecularWeight: 399.887343

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H20ClFN2O3S/c1-25-15-3-5-16(6-4-15)26(23,24)22-10-8-21(9-11-22)13-14-2-7-18(20)17(19)12-14/h2-7,12H,8-11,13H2,1H3/p+1