1-[6-[(3-fluoranyl-4-methoxy-phenyl)methylsulfanyl]pyridin-3-yl]sulfonyl-4-(phenylmethyl)piperazin-4-ium

Systemtic Name: 1-[6-[(3-fluoranyl-4-methoxy-phenyl)methylsulfanyl]pyridin-3-yl]sulfonyl-4-(phenylmethyl)piperazin-4-ium Openeye Name: 1-benzyl-4-[[6-[(3-fluoro-4-methoxy-phenyl)methylsulfanyl]-3-pyridyl]sulfonyl]piperazin-1-ium CAS Name: 1-[[6-[(3-fluoro-4-methoxyphenyl)methylthio]-3-pyridinyl]sulfonyl]-4-(phenylmethyl)piperazin-4-ium IUPAC Name: 1-benzyl-4-[6-[(3-fluoro-4-methoxyphenyl)methylsulfanyl]pyridin-3-yl]sulfonylpiperazin-1-ium Traditional Name: 1-benzyl-4-[[6-[(3-fluoro-4-methoxy-benzyl)thio]-3-pyridyl]sulfonyl]piperazin-1-ium Formula: C24H27FN3O3S2+ MolecularWeight: 488.617883

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CSC2=NC=C(C=C2)S(=O)(=O)N3CC[NH+](CC3)CC4=CC=CC=C4)F

Isomeric SMILES

COC1=C(C=C(C=C1)CSC2=NC=C(C=C2)S(=O)(=O)N3CC[NH+](CC3)CC4=CC=CC=C4)F

InChI

InChI=1S/C24H26FN3O3S2/c1-31-23-9-7-20(15-22(23)25)18-32-24-10-8-21(16-26-24)33(29,30)28-13-11-27(12-14-28)17-19-5-3-2-4-6-19/h2-10,15-16H,11-14,17-18H2,1H3/p+1