2-(4-ethoxyphenyl)-4-[[4-(2-fluorophenyl)sulfonylpiperazin-1-ium-1-yl]methyl]-1,3-thiazole

Systemtic Name: 2-(4-ethoxyphenyl)-4-[[4-(2-fluorophenyl)sulfonylpiperazin-1-ium-1-yl]methyl]-1,3-thiazole Openeye Name: 2-(4-ethoxyphenyl)-4-[[4-(2-fluorophenyl)sulfonylpiperazin-1-ium-1-yl]methyl]thiazole CAS Name: 2-(4-ethoxyphenyl)-4-[[4-(2-fluorophenyl)sulfonyl-1-piperazin-1-iumyl]methyl]thiazole IUPAC Name: 2-(4-ethoxyphenyl)-4-[[4-(2-fluorophenyl)sulfonylpiperazin-1-ium-1-yl]methyl]-1,3-thiazole Traditional Name: 4-[[4-(2-fluorophenyl)sulfonylpiperazin-1-ium-1-yl]methyl]-2-p-phenetyl-thiazole Formula: C22H25FN3O3S2+ MolecularWeight: 462.580603

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)C2=NC(=CS2)C[NH+]3CCN(CC3)S(=O)(=O)C4=CC=CC=C4F

Isomeric SMILES

CCOC1=CC=C(C=C1)C2=NC(=CS2)C[NH+]3CCN(CC3)S(=O)(=O)C4=CC=CC=C4F

InChI

InChI=1S/C22H24FN3O3S2/c1-2-29-19-9-7-17(8-10-19)22-24-18(16-30-22)15-25-11-13-26(14-12-25)31(27,28)21-6-4-3-5-20(21)23/h3-10,16H,2,11-15H2,1H3/p+1