2-[[4-(4-ethoxyphenyl)sulfonylpiperazin-1-ium-1-yl]methyl]-5-(4-fluorophenyl)-1,3-oxazole

Systemtic Name: 2-[[4-(4-ethoxyphenyl)sulfonylpiperazin-1-ium-1-yl]methyl]-5-(4-fluorophenyl)-1,3-oxazole Openeye Name: 2-[[4-(4-ethoxyphenyl)sulfonylpiperazin-1-ium-1-yl]methyl]-5-(4-fluorophenyl)oxazole CAS Name: 2-[[4-(4-ethoxyphenyl)sulfonyl-1-piperazin-1-iumyl]methyl]-5-(4-fluorophenyl)oxazole IUPAC Name: 2-[[4-(4-ethoxyphenyl)sulfonylpiperazin-1-ium-1-yl]methyl]-5-(4-fluorophenyl)-1,3-oxazole Traditional Name: 5-(4-fluorophenyl)-2-[(4-p-phenetylsulfonylpiperazin-1-ium-1-yl)methyl]oxazole Formula: C22H25FN3O4S+ MolecularWeight: 446.515003

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)S(=O)(=O)N2CC[NH+](CC2)CC3=NC=C(O3)C4=CC=C(C=C4)F

Isomeric SMILES

CCOC1=CC=C(C=C1)S(=O)(=O)N2CC[NH+](CC2)CC3=NC=C(O3)C4=CC=C(C=C4)F

InChI

InChI=1S/C22H24FN3O4S/c1-2-29-19-7-9-20(10-8-19)31(27,28)26-13-11-25(12-14-26)16-22-24-15-21(30-22)17-3-5-18(23)6-4-17/h3-10,15H,2,11-14,16H2,1H3/p+1