1-[4-[(2-chloranyl-6-fluoranyl-phenyl)methyl]piperazin-4-ium-1-yl]-2-(4-methoxyphenyl)sulfanyl-ethanone

Systemtic Name: 1-[4-[(2-chloranyl-6-fluoranyl-phenyl)methyl]piperazin-4-ium-1-yl]-2-(4-methoxyphenyl)sulfanyl-ethanone Openeye Name: 1-[4-[(2-chloro-6-fluoro-phenyl)methyl]piperazin-4-ium-1-yl]-2-(4-methoxyphenyl)sulfanyl-ethanone CAS Name: 1-[4-[(2-chloro-6-fluorophenyl)methyl]-1-piperazin-4-iumyl]-2-[(4-methoxyphenyl)thio]ethanone IUPAC Name: 1-[4-[(2-chloro-6-fluorophenyl)methyl]piperazin-4-ium-1-yl]-2-(4-methoxyphenyl)sulfanylethanone Traditional Name: 1-[4-(2-chloro-6-fluoro-benzyl)piperazin-4-ium-1-yl]-2-[(4-methoxyphenyl)thio]ethanone Formula: C20H23ClFN2O2S+ MolecularWeight: 409.925223

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)SCC(=O)N2CC[NH+](CC2)CC3=C(C=CC=C3Cl)F

Isomeric SMILES

COC1=CC=C(C=C1)SCC(=O)N2CC[NH+](CC2)CC3=C(C=CC=C3Cl)F

InChI

InChI=1S/C20H22ClFN2O2S/c1-26-15-5-7-16(8-6-15)27-14-20(25)24-11-9-23(10-12-24)13-17-18(21)3-2-4-19(17)22/h2-8H,9-14H2,1H3/p+1